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Compound Name
1
SR 142948
2
UK 356618
3
JW 480
4
ML-265
5
PF-04418948
6
Ezatiostat
7
Nitisinone
8
4,4'-Dichlorobenzil
9
Pentadecanoyl EA
10
Ascomycin
11
SSR 69071
12
UPF 648
13
Fumagillin
14
GSK343
15
Torcetrapib
16
ONX 0914
17
Balicatib
18
alvimopan
19
BCATc-In2
20
BACE1_In
21
Tiplaxtinin
22
Trihydroxyisoflavone
23
GSK4112
24
EIPA
25
MLN4924
26
Blonanserin
27
DY 131
28
LOMEGUATRIB
29
HMB-Val-Ser-Leu-VE
30
Cetrorelix
31
SCH 530348
32
PF 04447943
33
PF-8380
34
ACA
35
4EGI-1
36
Undecanoic acid
37
kb NB 142-70
38
LPA2 An1
39
Sildenafil
40
CGP77675
41
PF 4800567
42
AK 7
43
CID-2745687
44
GSK2578215
45
Ticagrelor
46
Cytosporone B
47
Vidofludimus
48
AZD1152-HQPA
49
BMS309403
50
XCT 790
51
SR 3335
52
Cysmethynil
53
SP2509
54
BMS 754807
55
BX 471
56
LUBIPROSTONE
57
CAY10550
58
ICG-001
59
AT 406
60
AGN 190299
61
MF63
62
2,4-Dichlorophenol
63
Ingenol-3-angelate
64
UNC2250
65
3-Hydroxyflavone
66
HPGDS-In1
67
Ac-YVAD-CHO
68
ko143
69
AS 1517499
70
Anamorelin
71
KH7
72
R-848
73
BMS 303141
74
a-Naphthoflavone
75
3-Benzotriazol-propionic acid
76
APD668
77
MPI-0479605-HCL
78
NVP-BEP800
79
L-Cysteine
80
3,5-Dichlorosalicylic acid
81
Necrostatin 2
82
MLS0315771
83
BBL003126
84
NSC43673
85
Actonel
86
MI-3
87
SAR020106
88
TAK-875
89
Bromfenac
90
Parecoxib
91
4-Nitropiazthiole
92
Compound-1a
93
Basimglurant
94
Huperzine A
95
MI-773
96
BLZ-945
97
NSC735380
98
Ralfinamide
99
HY-50713
100
Tafamidis
101
Benethamine
102
Senicapoc
103
Glycyrrhizic acid
104
Tofacitinib
105
CB-839
106
LY2801653
107
(4-Chlorobenzyl)pyridine
108
RRD-251
109
Avosentan
110
ML365
111
HFI-142
112
Ethiprole
113
CHEMBL217125
114
Tirofiban
115
YK-4-279
116
AA92593
117
Dapagliflozin
118
Aliskiren
119
FMK
120
Chlorsulfuron
121
3-Benzyloxyaniline
122
STX-0119
123
Dicyclohexylamine
124
Mildronate
125
Sunitinib
126
FIPI HCl
127
VUF11207
128
(RS)-PPG
129
AM966
130
XEN 103
131
Ibutilide
132
Glufosinate
133
4-Aminobenzohydrazide
134
LCL161
135
Bromopyruvic acid
136
VPC23019
137
7-Hydroxycoumarine
138
AK-54059
139
HhAntag
140
CHEMBL2172374
141
1,4-DHNA
142
NSC19883
143
Tasimelteon
144
RN486
145
Ruxolitinib
146
7,3,4-THIF
147
PAP-1
148
p-Tolylboronic acid
149
A-317491
150
Org25543
151
CBIO
152
Thymidine
153
CHCA
154
Marimastat
155
RO495
156
Abiraterone1
157
Pimavanserin
158
Tetrindole
159
BW 723C86
160
CP 94253
161
Isoproterenol
162
L-168,049
163
GW 3965
164
CB 13
165
Telotristat
166
Tropicamide
167
(S)-(-)-Pindolol
168
SB 218795
169
Acifran
170
QX 314
171
AC-7954
172
ZJ 43
173
CyPPA
174
LY 487379
175
W-13 HCl
176
Cilostamide
177
Pirenzepine
178
PP 1
179
SB 334867
180
4-Methylhistamine
181
CGS 35066
182
LY 364947
183
A 803467
184
Metyrapone
185
Binospirone
186
RS 67333
187
SKF 89976A
188
Milrinone
189
NSC 23766
190
Pirenzepine
191
TPCA-1
192
SB 225002
193
TCS PIM-1 1
194
ARL 17477
195
GBR 12909
196
ZD 7288
197
Genistein
198
Terazosin
199
NS 3763
200
JTE 013
201
PD 176252
202
MRS 1754
203
Desipramine
204
NDT 9513727
205
Clozapine
206
L-741
207
AM 630
208
SC 560
209
SR 27897
210
Anagrelide
211
NSC 87877
212
NFPS
213
Nafamostat
214
BIX 01294
215
BD 1008
216
BMY 7378
217
BRL 54443
218
SB 216763
219
PD 160170
220
Zonisamide
221
NU 7026
222
Ziprasidone
223
(Z)-Pugnac
224
Dipyridamole
225
ZM 241385
226
MK 886
227
Fenoldopam
228
Raloxifene
229
IBC 293
230
WAY 170523
231
HC 030031
232
PHA 767491
233
Anastrozole
234
SR 11237
235
FR 180204
236
IU1
237
Olanzapine
238
PF-514273
239
Veliparib 
240
ML-323
241
PF-543
242
CPI-203
243
GSK-923295
244
Tamibarotene
245
Pitolisant
246
HC 067047
247
Bicifadine
248
Tacrine
249
CHEMBL570596
250
PF-3758309
251
TCS ERK 11e
252
GSK2606414
253
Ro 48-8071
254
KU 55933
255
XAV 939
256
Probenecid
257
Bosutinib
258
Eptifibatide
259
Cyclopamine
260
BEC
261
MLN 8237
262
Fevipiprant
263
Histamine
264
A 1120
265
TMN 355
266
TC-N 22A
267
CHEMBL2041153
268
BX 912
269
GSK2334470
270
TR-14035
271
AZ 628
272
Quizartinib
273
Dopamine
274
7,8-Dihydroxyflavone
275
VU 0364739
276
Febuxostat
277
TOFA
278
CAY10683
279
G-1
280
(S)-Selisistat
281
BMS-5
282
LY2584702
283
GSK 650394
284
Rotigotine
285
RWJ 50271
286
4mu8C
287
AUDA
288
10074-G5
289
3-Deazaneplanocin A
290
MG-132
291
KPT-330
292
Tizanidine
293
HX 531
294
TC-O 9311
295
Paliperidone
296
Forodesine
297
LY411575
298
Esmolol
299
P005091
300
Acamprosate
301
UNC 0638
302
Olvance
303
Encorafenib
304
Fingolimod
305
Actinonin
306
Eltrombopag
307
LY 344864
308
UK 383367
309
AZD4547
310
Atglistatin
311
IRAK-1-4 Inhibitor I
312
Tolvaptan
313
Zebularine
314
Aripiprazole
315
Mirabegron
316
Rifaximin
317
Pictilisib
318
Acetazolamide
319
Vilazodone
320
UNC1215
321
NMS-873
322
CAL-101
323
Dasatinib
324
Yohimbine
325
Momelotinib
326
Fluorescein
327
Enzalutamide
328
GNF-5
329
BAY 57-1293
330
Tideglusib
331
BS-181
332
Terbinafine
333
Repaglinide
334
Tubastatin A
335
BBL023172
336
HJC0350
337
Quetiapine
338
Sotrastaurin
339
VE-821
340
Tranexamic acid
341
TGX-221
342
Alogliptin
343
Palbociclib
344
Benzbromarone
345
Fedratinib
346
Torasemide
347
Isotretinoin
348
Nolatrexed
349
mL347
350
H-Arg(NO2)-OH
351
Triclabendazole
352
Mubritinib
353
MK-1775
354
Racecadotril
355
Alectinib
356
Metolazone
357
Acitretin
358
mL167
359
Ivacaftor
360
Pomalidomide
361
Meloxicam
362
Lapatinib
363
D-(+)-Glucose
364
L-Mimosine
365
AGI-6780
366
L-Menthol
367
PAC-1
368
Turofexorate
369
TMP269
370
Erythromycin
371
RVX-208
372
Rosiglitazone
373
Sulfanilamide
374
Levosimendan
375
RGFP966
376
Dicumarol
377
AZD8055
378
Varespladib
379
Dabigatran
380
Mycophenolic acid
381
GW 501516
382
Gliclazide
383
Climbazole
384
Entinostat
385
Nisoldipine
386
Cediranib
387
AMN 082
388
Tipiracil
389
BML-277
390
Tandutinib
391
GK01981
392
STK832240
393
STL321288
394
STK772817
395
KM03430
396
Dantrolene
397
SMI-16a
398
Tivozanib
399
SB-269970
400
Lalistat1
401
SPB06189
402
STK869906
403
STK235555
404
STK746869
405
D399-0002
406
conivaptan
407
Tanomastat
408
H 89
409
ABT-199
410
6603-0104
411
STK155799
412
SCHEMBL5061501
413
JP1302
414
STL336112
415
EWP-815
416
Paroxetine
417
Phenylboronic acid
418
Pazopanib
419
Vatalanib
420
STK416816
421
ZINC2093649
422
CHEMBL569227
423
STK066844
424
STL304557
425
HMS3745G19
426
Aprepitant
427
5-Ethynyluracil
428
Darifenacin
429
Dorzolamide
430
CHEMBL1348080
431
Z32036776
432
STK410281
433
CHEMBL200403
434
CHEMBL1436068
435
Rhodanine derivative38
436
AMG 487
437
Zafirlukast
438
PF-04620110
439
Alosetron
440
MERCK544
441
STK841699
442
STK410283
443
LUF-5735
444
CHEMBL1597046
445
Dichlorphenamide
446
Volasertib
447
Vorinostat
448
Erlotinib
449
Pepstatin A
450
CHEMBL383736
451
STK368746
452
CHEMBL2397099
453
CHEMBL1643306
454
ZINC8945
455
SSR128129E
456
AZ505
457
Ramelteon
458
Castanospermine
459
Dexrazoxane
460
RH00511
461
AQ-390/43364023
462
ZINC6198410
463
CHEMBL1902935
464
CHEMBL2431803
465
Silodosin
466
KH-CB19
467
Resmetirom 
468
Finasteride
469
Talazoparib
470
Zosuquidar
471
Olcegepant
472
Methylnaltrexone
473
Laropiprant
474
RF9
475
Sultiame
476
Succinobucol
477
Osilodrostat
478
Fluticasone
479
H-1152
480
Ginkgolide A
481
Vernakalant
482
Eletriptan
483
Benzo[a]pyrene
484
PD173212
485
Dichlorisone
486
Migalastat
487
Cilengitide
488
SGC0946
489
Kaempferide
490
OTSSP167
491
Silmitasertib
492
Flavopiridol
493
L-NIL
494
2,6-Dichlorophenethylamine
495
L-Valyl-L-phenylalanine
496
Mifepristone
497
CC-401
498
TCS-OX2-29
499
Diethylstilbestrol
500
Dapiprazole
501
Dihydroartemisinin
502
Roxatidine
503
Teijin compound 1
504
NBTGR
505
TPPB
506
PF429242
507
(S)-Zopiclone
508
NVP-BSK805
509
Olopatadine
510
SAR7334
511
BAY 61-3606
512
Mavorixafor
513
[Pyr1]-Apelin-13
514
Bombesin
515
4-Methoxybenzoic acid
516
Ursodiol
517
UAMC00039
518
Olaparib
519
N6022
520
Olodaterol
521
Eplerenone
522
Paricalcitol
523
Treprostinil
524
T-00127_HEV1
525
T3
526
Ruboxistaurin
527
Icatibant
528
Thiamet G
529
Obatoclax
530
Tafluprost
531
Ethoxzolamide
532
Sulforaphane
533
Neurokinin A
534
Papaverine
535
Maraviroc
536
FTI-277
537
R121919
538
S107
539
Minocycline
540
Bay 60-7550
541
fMLF
542
Perhexiline
543
Zofenopril
544
Uridine
545
Moxonidine
546
Saracatinib
547
Rivastigmine
548
EPZ-6438
549
Imiquimod
550
Darunavir
551
Lixivaptan
552
BI 2536
553
Pramipexole
554
L-779450
555
BMS-911543
556
TAE 226
557
Pinometostat
558
Anacetrapib
559
SB-222200
560
Tazarotene1
561
Bexarotene
562
Carbamazepine
563
AZD1152
564
LY2090314
565
Macitentan
566
ISO-1
567
XEN445
568
Guanfacine
569
PX-12
570
Tazarotene2
571
Quisinostat
572
SD-208
573
PJ34
574
Sitagliptin
575
MEK162
576
Doramapimod
577
MRS 2578
578
Desvenlafaxine
579
PDK1-In
580
A 922500
581
Baricitinib
582
NVP-BHG712
583
UNC2881
584
Azilsartan
585
Berzosertib
586
NBI-74330
587
c-Fms-IN-3
588
Atosiban
589
ABT-737
590
AS-605240
591
GNE-9605
592
MBX-2982
593
MN-64
594
BMS-536924
595
Montelukast
596
PCI-34051
597
VU0152100
598
Palonosetron
599
Indomethacin
600
GW 441756
601
Selisistat
602
Midostaurin
603
GSK2656157
604
PP2
605
Y-33075
606
JQ-1
607
RG2833
608
SP600125
609
Reversine
610
Rifampicin
611
Ro-3306
612
PRT062607
613
Methazolamide
614
Taranabant
615
Odanacatib
616
Tacrolimus
617
Sumatriptan
618
Quiflapon
619
MK-3207
620
GR79236
621
Formestane
622
QNZ
623
Betamethasone
624
PDE-9i
625
NU7441
626
Toceranib
627
2-Cl-IB-MECA
628
Octreotide
629
Carprofen
630
AR-C155858
631
JZL 184
632
NB-598
633
GSK189254A
634
Topiramate
635
Roflumilast
636
Bestatin
637
Enzastaurin
638
Amsacrine
639
INCB 3284
640
Mianserin
641
LY2365109
642
Gefitinib
643
Spironolactone
644
Tipifarnib
645
LXR-623
646
Capsazepine
647
VTP-27999
648
AM095
649
Nateglinide
650
Vemurafenib
651
Abiraterone2
652
Fluconazole
653
PS-1145
654
NS309
655
SKI II
656
SCH 58261
657
Retigabine
658
OSI-027
659
Seratrodast
660
TAK-779
661
VU 0364439
662
PRX-08066
663
DP-agonist13
664
Ulipristal
665
Indapamide
666
Oleanolic Acid
667
Ripasudil
668
Debio-1347
669
SB-408124
670
Aztreonam
671
Simvastatin
672
Duvelisib
673
Ospemifene
674
Ribociclib
675
PD 123319
676
Prucalopride
677
Gedatolisib
678
UMI-77
679
GW311616
680
Ro 28-1675
681
BCX 1470
682
TRAM-34
683
GW9508
684
Tezacaftor
685
A 438079
686
KU-60019
687
Timapiprant
688
MRE-269
689
Ivabradine
690
NP118809
691
IWR-1
692
Nifedipine
693
Sapropterin 
694
Perindopril
695
2,2'-Biquinoline
696
CA-074
697
Pamidronic acid
698
Cloprostenol
699
Chloro-L-alanine
700
ML218
701
CBL0137
702
Iclaprim
703
9-Aminocamptothecin
704
Sitaxsentan
705
SB-224289
706
L755507
707
NSC95682
708
5-Hydroxyflavone
709
LDN-192960
710
Asimadoline
711
SB290157
712
NIBR189
713
I3C
714
GSK-LSD1
715
Bisphenol A
716
GW842166X
717
Epristeride
718
Boc-4mesyloxypiperidine
719
Purvalanol
720
Fumitremorgin C
721
WAY 316606
722
AKR1C3-IN-1
723
Bergenin
724
Dimethylfraxetin
725
LP-533401
726
RK-24466
727
ML221
728
Salmeterol
729
Alfuzosin
730
Fluoxymesterone
731
Stiripentol
732
Pyrene
733
Pamoic Acid
734
Tolimidone
735
ML349
736
Dinoprost
737
DPP-IV-IN-2
738
CJ-42794
739
Ibrutinib1
740
4-Benzylpyridine
741
Rucinol
742
Sulcotrione
743
AGK2
744
Acenaphthoquinone
745
Prinomastat
746
Lasmiditan
747
GW7647
748
Tadalafil
749
INT-747
750
Brequinar
751
Rislenemdaz
752
Quinidine
753
2-PMPA
754
Thiothixene
755
Cyanuric chloride
756
GW4064
757
LY334370
758
GSK2636771
759
4,4'-Dimethoxybenzil
760
2-Bromophenethylamine
761
A 967079
762
Atomoxetine
763
Cetirizine
764
6-Aminochrysene
765
ABL127
766
Guanethidine
767
TNP-470
768
Leupeptin
769
MK2206
770
Asarone
771
Siponimod
772
Nutlin3a
773
Bosentan
774
Filanesib
775
5-R-Rivaroxaban
776
Evacetrapib
777
Calcipotriol
778
Molindone
779
Zotarolimus
780
Vicriviroc
781
CAY10650
782
Lorcaserin
783
Rupatadine
784
WZ811
785
Ibutamoren
786
Ibrutinib2
787
GSK429286A
788
Iloprost
789
HA130
790
CH-223191
791
WH-4-023
792
PF-431396
793
Entospletinib
794
ZM 336372
795
TAK-285
796
Telmisartan
797
GSK126
798
STF-31
799
Bafetinib
800
Linagliptin
801
CZC-25146
802
AZD 6482
803
Navarixin
804
L-165041
805
IC-87114
806
Eniporide
807
GS-9620
808
Cimetidine
809
SB 525334
810
Gandotinib
811
JNJ-38877605
812
Orteronel
813
Carvedilol
814
Rofecoxib
815
CH5132799
816
Rolapitant
817
BQ-788
818
GSK-1070916
819
EPZ004777
820
Mardepodect
821
PLX-4720
822
Birabresib
823
AZD-5438
824
AZ20
825
PNU-120596
826
Clorgiline
827
RN-1734
828
Progesterone
829
Ethynyl Estradiol
830
Tiagabine
831
Nexturastat A
832
Ozagrel
833
Rimonabant
834
TCS 1102
835
Abemaciclib
836
BHT
837
Buspirone
838
Spautin-1
839
Testolactone
840
Icotinib
841
SB-674042
842
CCT128930
843
MK-6892
844
AXL1717
845
Tozasertib
846
Rucaparib
847
FK866
848
Zaltoprofen
849
DMB
850
CP-673451
851
Epoxomicin
852
Defactinib
853
Ispinesib
854
Idasanutlin
855
Radicicol
856
Ceritinib
857
AZD7762
858
SB 699551
859
6-Mercaptopurine
860
Crizotinib
861
NNC 26-9100
862
SGI-1776
863
Bafilomycin A1
864
CHEMBL513147
865
CCT241533
866
Dronedarone
867
Lomitapide
868
SH-4-54
869
OSU-03012
870
D-3263
871
Celastrol
872
UNC 0631
873
Pyrimethamine
874
Darapladib
875
Nilotinib
876
Drag to adjust the number of frozen columns
Primary Target
Secondary Target
SMILES
MW
Formula
Screening Concentration
NTSR1
NTSR2
COc1cccc(c1c1cc(nn1c1ccc(cc1C(C)C)C(=O)N(CCCN(C)C)C)C(=O)NC1(C(=O)O)C2CC3CC1CC(C2)C3)OC
685.38
C39H51N5O6
10uM
MMP3
MMP13;MMP9
ONC(=O)C[C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](c1ccccc1)C)CCCc1ccc(c(c1)C)c1ccccc1
557.32
C34H43N3O4
10uM
NCEH1
NA
O=C(Oc1ccccc1C(C)C)NCCc1ccc2c(c1)cccc2
333.17
C22H23NO2
10uM
PKM
NA
Nc1cccc(c1)Cn1ncc2c(c1=O)n(C)c1c2sc(c1)S(=O)C
372.07
C17H16N4O2S2
10uM
PTGER2
NA
COc1ccc2c(c1)ccc(c2)OCC1(CN(C1)C(=O)c1ccc(cc1)F)C(=O)O
409.13
C23H20FNO5
10uM
GSTP1
NA
CCOC(=O)[C@H](CCC(=O)N[C@H](C(=O)N[C@H](c1ccccc1)C(=O)OCC)CSCc1ccccc1)N
529.22
C27H35N3O6S
10uM
HPD
NA
O=C1CCCC(=O)C1C(=O)c1ccc(cc1[N+](=O)[O-])C(F)(F)F
329.05
C14H10F3NO5
10uM
CES1
CES5A;CES3;CES2
O=C(C(=O)c1ccc(cc1)Cl)c1ccc(cc1)Cl
277.99
C14H8Cl2O2
10uM
GPR55
NA
CCCCCCCCCCCCCCC(=O)NCCO
285.27
C17H35NO2
10uM
FKBP1A
NA
CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2
791.48
C43H69NO12
10uM
ELANE
NA
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(C2=O)COc1cc(=O)n2c(n1)c(OCCN1CCCCC1)ccc2
556.2
C27H32N4O7S
10uM
KMO
NA
OC(=O)[C@H]1C[C@@H]1C(=O)c1ccc(c(c1)Cl)Cl
257.98
C11H8Cl2O3
10uM
METAP2
NA
CO[C@@H]1[C@@H](CC[C@@]2([C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C)CO2)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O
458.23
C26H34O7
10uM
EZH2
NA
CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2c1cnn2C(C)C)c1ccnc(c1)N1CCN(CC1)C
541.32
C31H39N7O2
10uM
CETP
NA
CCOC(=O)N1[C@H](CC)C[C@@H](c2c1ccc(c2)C(F)(F)F)N(C(=O)OC)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
600.17
C26H25F9N2O4
10uM
PSMB8
NA
COc1ccc(cc1)C[C@@H](C(=O)N[C@H](C(=O)[C@@]1(C)CO1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN1CCOCC1)C
580.29
C31H40N4O7
10uM
CTSK
CTSL
CCCN1CCN(CC1)c1ccc(cc1)C(=O)NC1(CCCCC1)C(=O)NCC#N
411.26
C23H33N5O2
10uM
OPRM1
OPRD1;OPRK1
OC(=O)CNC(=O)[C@@H](Cc1ccccc1)CN1CC[C@@]([C@H](C1)C)(C)c1cccc(c1)O
424.24
C25H32N2O4
10uM
BCAT1
NA
Clc1ccc2c(c1)cc(o2)C(=O)NNS(=O)(=O)c1ccccc1C(F)(F)F
418
C16H10ClF3N2O4S
10uM
BACE1
BACE2;APP
O[C@@H]([C@@H](NC(=O)c1cc(cc(c1)N(S(=O)(=O)C)C)C(=O)N[C@@H](c1ccccc1)C)Cc1ccccc1)CNC1CC1
578.26
C31H38N4O5S
10uM
SERPINE1
NA
OC(=O)C(=O)c1cn(c2c1cc(cc2)c1ccc(cc1)OC(F)(F)F)Cc1ccccc1
439.1
C24H16F3NO4
10uM
PFKFB3
NA
Oc1ccc(cc1)c1coc2c(c1=O)ccc(c2O)O
270.05
C15H10O5
10uM
NR1D1
NA
O=C(OC(C)(C)C)CN(Cc1ccc(s1)[N+](=O)[O-])Cc1ccc(cc1)Cl
396.09
C18H21ClN2O4S
10uM
SLC9A1
PLAU;SLC9A5
CCN(c1nc(N)c(nc1Cl)C(=O)NC(=N)N)C(C)C
299.13
C11H18ClN7O
10uM
NAE1
NA
O[C@H]1C[C@@H](C[C@H]1COS(=O)(=O)N)n1ccc2c1ncnc2N[C@H]1CCc2c1cccc2
443.16
C21H25N5O4S
10uM
DRD2;HTR2A
HTR2C;HTR2B
CCN1CCN(CC1)c1nc2CCCCCCc2c(c1)c1ccc(cc1)F
367.24
C23H30FN3
10uM
ESRRG
NA
CCN(c1ccc(cc1)/C=N/NC(=O)c1ccc(cc1)O)CC
311.16
C18H21N3O2
10uM
MGMT
NA
Brc1csc(c1)COc1nc(N)nc2c1nc[nH]2
324.96
C10H8BrN5OS
10uM
KLK11
NA
CCOC(=O)/C=C/[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)c1cccc(c1C)O)CO)CC(C)C
505.28
C26H39N3O7
10uM
GNRHR
NA
OC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(=O)N)C)CCCNC(=N)N)CC(C)C)CCCNC(=O)N)Cc1ccc(cc1)O)NC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccc(cc1)Cl)NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C
1429.67
C70H92ClN17O14
10uM
F2R
NA
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@H]1[C@H]([C@H]2/C=C/c2ccc(cn2)c2cccc(c2)F)[C@H](OC1=O)C
492.24
C29H33FN2O4
10uM
PDE9A
NA
C[C@@H]1CN(C[C@H]1c1[nH]c(=O)c2c(n1)n(nc2)C1CCOCC1)Cc1ncccn1
395.21
C20H25N7O2
10uM
ENPP2
NA
Clc1cc(COC(=O)N2CCN(CC2)CCC(=O)c2ccc3c(c2)oc(=O)[nH]3)cc(c1)Cl
477.09
C22H21Cl2N3O5
10uM
TRPM2
TRPC6;TRPM8
CCCCCc1ccc(cc1)/C=C/C(=O)Nc1ccccc1C(=O)O
337.17
C21H23NO3
10uM
EIF4E
NA
OC(=O)/C(=N/Nc1scc(n1)c1ccc(c(c1)Cl)Cl)/Cc1ccccc1[N+](=O)[O-]
450
C18H12Cl2N4O4S
10uM
AGTR2
ADRA1B;AGTR1
CCCCCCCCCCC(=O)O
186.16
C11H22O2
10uM
PRKD1
NA
Oc1cc2c3SCCNC(=O)c3sc2cc1
251.01
C11H9NO2S2
10uM
LPAR2
NA
C[C@H](Nc1ncnc2c1scc2C)CN1CCN(CC1)S(=O)(=O)c1ccc(c(c1)Cl)Cl
499.07
C20H23Cl2N5O2S2
10uM
PDE5A
ENPP6;PDE6H;PDE6B;PDE6D;PDE6G;PDE6C;PDE6A;ADORA2A;PDE1A;PDE1B;PDE1C
CCCc1nn(c2c1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C)C
474.2
C22H30N6O4S
10uM
SRC
LCK;KDR;EGFR
COc1cccc(c1)c1cn(c2c1c(N)ncn2)c1ccc(cc1)CCN1CCC(CC1)O
443.23
C26H29N5O2
10uM
CSNK1E
NA
Clc1cccc(c1)OCc1nn(c2c1c(N)ncn2)C1CCOCC1
359.12
C17H18ClN5O2
10uM
SIRT2
NA
Brc1cccc(c1)NC(=O)c1cccc(c1)S(=O)(=O)N1CCCCCC1
436.05
C19H21BrN2O3S
10uM
GPR35
NA
COC(=O)c1cnn(c1/C=N/NC(=S)NC(C)(C)C)c1ccc(cc1F)F
395.12
C17H19F2N5O2S
10uM
LRRK2
NA
Fc1nccc(c1)c1ccc(c(c1)C(=O)Nc1cccnc1)OCc1ccccc1
399.14
C24H18FN3O2
10uM
P2RY12
NA
CCCSc1nc(N[C@@H]2C[C@H]2c2ccc(c(c2)F)F)c2c(n1)n(nn2)[C@@H]1C[C@@H]([C@H]([C@H]1O)O)OCCO
522.19
C23H28F2N6O4S
10uM
NR4A1
NA
CCCCCCCC(=O)c1c(O)cc(cc1CC(=O)OCC)O
322.18
C18H26O5
10uM
DHODH
NA
COc1cccc(c1)c1ccc(c(c1)F)NC(=O)C1=C(CCC1)C(=O)O
355.12
C20H18FNO4
10uM
AURKB
AURKC;KIT;FLT3;PDGFRA;PDGFRB;RET;LCK;EGFR;AURKA
OCCN(CCCOc1ccc2c(c1)ncnc2Nc1n[nH]c(c1)CC(=O)Nc1cccc(c1)F)CC
507.24
C26H30FN7O3
10uM
FABP4
FABP3;FABP12;FABP9;FABP7;FABP1;FABP2;FABP6;FABP5
CCc1c(c2ccccc2)c(nn1c1ccccc1c1cccc(c1)OCC(=O)O)c1ccccc1
474.19
C31H26N2O3
10uM
ESRRA
NA
N#C/C(=C\c1ccc(c(c1)OC)OCc1ccc(cc1C(F)(F)F)C(F)(F)F)/C(=O)Nc1nnc(s1)C(F)(F)F
596.06
C23H13F9N4O3S
10uM
RORA
NA
FC(C(C(F)(F)F)(c1ccc(cc1)NS(=O)(=O)c1cccs1)O)(F)F
404.99
C13H9F6NO3S2
10uM
ICMT
NA
CCCCCCCCn1cc(c2c1ccc(c2)c1cccc(c1)C)CC(=O)N
376.25
C25H32N2O
10uM
KDM1A
NA
Clc1ccc(c(c1)/C(=N/NC(=O)c1cccc(c1)S(=O)(=O)N1CCOCC1)/C)O
437.08
C19H20ClN3O5S
10uM
IGF1R
INSR;AURKA;RET;EPHA4;MET;ABL1
Fc1ccc(cn1)NC(=O)[C@]1(C)CCCN1c1nc(Nc2n[nH]c(c2)C2CC2)c2n(n1)ccc2
461.21
C23H24FN9O
10uM
CCR1
CCL3
NC(=O)Nc1cc(Cl)ccc1OCC(=O)N1CCN(C[C@H]1C)Cc1ccc(cc1)F
434.15
C21H24ClFN4O3
10uM
CLCN2
NA
CCCCC([C@@]1(O)CC[C@H]2[C@H](O1)CC(=O)[C@@H]2CCCCCCC(=O)O)(F)F
390.22
C20H32F2O5
10uM
PRNP
NA
O=C1CC(=NN1c1ccccc1)c1ccc(cc1)[N+](=O)[O-]
281.08
C15H11N3O3
10uM
CTNNB1
NA
Oc1ccc(cc1)C[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)NCc1ccccc1)Cc1cccc2c1cccc2
548.24
C33H32N4O4
10uM
BIRC2;BIRC3
XIAP
CN[C@H](C(=O)N[C@H]1CN(CC[C@@H]2N(C1=O)[C@@H](CC2)C(=O)NC(c1ccccc1)c1ccccc1)C(=O)CC(C)C)C
561.33
C32H43N5O4
10uM
RARB
NA
OC(=O)c1ccc(nc1)C#Cc1ccc2c(c1)C(C)(C)CCS2
323.1
C19H17NO2S
10uM
PTGES
NA
N#Cc1cccc(c1c1[nH]c2c(n1)c1ccc(cc1c1c2cccc1)Cl)C#N
378.07
C23H11ClN4
10uM
SULT1E1
NA
Clc1ccc(c(c1)Cl)O
161.96
C6H4Cl2O
10uM
PRKCD
NA
C/C=C(\C(=O)O[C@H]1C(=C[C@]23[C@]1(O)[C@H](O)C(=C[C@H](C3=O)[C@H]1[C@@H](C[C@H]2C)C1(C)C)CO)C)/C
430.24
C25H34O6
10uM
MERTK
NA
CCCCNc1ncc(c(n1)N[C@@H]1CC[C@H](CC1)O)c1ccc(cn1)CN1CCOCC1
440.29
C24H36N6O2
10uM
CYP1A1
NA
O=c1c(O)c(oc2c1cccc2)c1ccccc1
238.06
C15H10O3
10uM
HPGDS
NA
Fc1cccc(c1)c1ccc(cn1)C(=O)NC1CCN(CC1)CC(F)(F)F
381.15
C19H19F4N3O
10uM
CASP1
NA
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)C)CC(=O)O
492.22
C23H32N4O8
10uM
ABCG2
NA
COc1ccc2c(c1)[nH]c1c2C[C@@H]2N([C@H]1CC(C)C)C(=O)[C@@H](NC2=O)CCC(=O)OC(C)(C)C
469.26
C26H35N3O5
10uM
STAT6
NA
NC(=O)c1cnc(nc1NCc1ccccc1)NCCc1ccc(c(c1)Cl)O
397.13
C20H20ClN5O2
10uM
GHSR
NA
O=C(N1CCC[C@](C1)(Cc1ccccc1)C(=O)N(N(C)C)C)[C@H](NC(=O)C(N)(C)C)Cc1c[nH]c2c1cccc2
546.33
C31H42N6O3
10uM
ADCY10
NA
Brc1ccc(c(c1)/C=N/NC(=O)C(Sc1nc2c([nH]1)cccc2)C)O
418.01
C17H15BrN4O2S
10uM
TLR7
TLR8
CCOCc1nc2c(n1CC(O)(C)C)c1ccccc1nc2N
314.17
C17H22N4O2
10uM
ACLY
NA
COc1ccc(cc1NS(=O)(=O)c1cc(Cl)cc(c1O)Cl)c1ccccc1
423.01
C19H15Cl2NO4S
10uM
CYP1A2;CYP1B1
CYP1A1;CYP19A1;CYP2C9;ABCG2;ADORA1
O=c1cc(oc2c1ccc1c2cccc1)c1ccccc1
272.08
C19H12O2
10uM
EGLN3
NA
OC(=O)CCn1nnc2c1cccc2
191.07
C9H9N3O2
10uM
GPR119
NA
CC(OC(=O)N1CCC(CC1)Oc1ncnc2c1cnn2c1ccc(cc1F)S(=O)(=O)C)C
477.15
C21H24FN5O5S
10uM
TTK
NA
Cc1cc(ccc1Nc1nc(NC2CCCCC2)c2c(n1)[nH]cn2)N1CCOCC1
407.24
C22H29N7O
10uM
HSP90AA1;HSP90B1
HSP90AB1
CCNC(=O)c1sc2c(c1)c(nc(n2)N)c1cc(OCCN2CCCC2)c(cc1Cl)Cl
479.1
C21H23Cl2N5O2S
10uM
PCBP1
NA
N[C@H](C(=O)O)CS
121.02
C3H7NO2S
10uM
AKR1C1
NA
Clc1cc(Cl)c(c(c1)C(=O)O)O
205.95
C7H4Cl2O3
10uM
RIPK1
NA
CN1C(=O)[C@H](NC1=O)Cc1c[nH]c2c1cccc2Cl
277.06
C13H12ClN3O2
10uM
MPI
NA
Fc1ccc2c(c1)sn(c2=O)c1cc(C)ccc1C
273.06
C15H12FNOS
10uM
CCR9
NA
OC(=O)c1sccc1NS(=O)(=O)c1ccc(cc1)C(C)(C)C
339.06
C15H17NO4S2
10uM
HSD17B3
NA
Oc1ccc2c(c1)oc(=O)c(c2C)Cc1ccccc1
266.09
C17H14O3
10uM
FDPS
NA
OP(=O)(C(P(=O)(O)O)(Cc1cccnc1)O)O
283
C7H11NO7P2
10uM
MEN1
NA
CC(c1sc2c(c1)c(ncn2)N1CCN(CC1)C1=NCC(S1)(C)C)C
375.15
C18H25N5S2
10uM
CHEK1
NA
N#Cc1ncc(nc1O[C@@H](CN(C)C)C)Nc1ncc2c(c1)cccc2Cl
382.13
C19H19ClN6O
10uM
FFAR1
NA
OC(=O)C[C@@H]1COc2c1ccc(c2)OCc1cccc(c1)c1c(C)cc(cc1C)OCCCS(=O)(=O)C
524.19
C29H32O7S
10uM
PTGS1;PTGS2
NA
OC(=O)Cc1cccc(c1N)C(=O)c1ccc(cc1)Br
333
C15H12BrNO3
10uM
INSR
PTGS2
CCC(=O)NS(=O)(=O)c1ccc(cc1)c1c(C)onc1c1ccccc1
370.1
C19H18N2O4S
10uM
TXNRD1
TXNRD2
[O-][N+](=O)c1cccc2c1nsn2
181
C6H3N3O2S
10uM
SLC14A1
SLC14A2
CCc1ccc(cc1)S(=O)(=O)c1nnn2c1nc(NCc1cccs1)c1c2ccs1
455.05
C20H17N5O2S3
10uM
GRM5
NA
Fc1ccc(cc1)n1c(C)nc(c1C)C#Cc1ccnc(c1)Cl
325.08
C18H13ClFN3
10uM
ACHE
NA
C/C=C/1\[C@H]2C=C(C[C@]1(N)c1c(C2)[nH]c(=O)cc1)C
242.14
C15H18N2O
10uM
MDM2
NA
O[C@@H]1CC[C@H](CC1)NC(=O)[C@@H]1N[C@H]([C@]2([C@H]1c1cccc(c1F)Cl)C(=O)Nc1c2ccc(c1)Cl)CC(C)(C)C
561.2
C29H34Cl2FN3O3
10uM
CSF1R
NA
CNC(=O)c1nccc(c1)Oc1ccc2c(c1)sc(n2)N[C@@H]1CCCC[C@H]1O
398.14
C20H22N4O3S
10uM
RARA
NA
OC(=O)c1ccc(cc1)c1scc(n1)c1cccc(c1)C(F)(F)F
349.04
C17H10F3NO2S
10uM
SCN3A
NA
NC(=O)[C@@H](NCc1ccc(cc1)OCc1ccccc1F)C
302.14
C17H19FN2O2
10uM
CASR
NA
C#CCOc1ccc2c(c1)c(nc(=O)n2C(C)C)c1ccc(cc1)C(C)C
360.18
C23H24N2O2
10uM
TTR
NA
Clc1cc(Cl)cc(c1)c1nc2c(o1)cc(cc2)C(=O)O
306.98
C14H7Cl2NO3
10uM
FARS2
NA
c1ccc(cc1)CNCCc1ccccc1
211.14
C15H17N
10uM
KCNN4
NA
Fc1ccc(cc1)C(c1ccc(cc1)F)(c1ccccc1)C(=O)N
323.11
C20H15F2NO
10uM
HSD11B2
HSD11B1
O[C@@H]1[C@@H](O[C@@H]2O[C@H](C(=O)O)[C@H]([C@@H]([C@H]2O)O)O)[C@H](O[C@@H]([C@H]1O)C(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@@H]2C(=O)C=C2[C@@]1(C)CC[C@@]1([C@H]2C[C@](C)(CC1)C(=O)O)C)C)C
822.4
C42H62O16
10uM
JAK3
JAK1;JAK2;DCLK3;STAT5B;PKN1;STAT1;NUAK2;TNK1;TYK2;ROCK2
N#CCC(=O)N1CC[C@H]([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C
312.17
C16H20N6O
10uM
GLS
NA
O=C(Nc1ccc(nn1)CCCCc1nnc(s1)NC(=O)Cc1ccccn1)Cc1cccc(c1)OC(F)(F)F
571.16
C26H24F3N7O3S
10uM
MET
NA
Fc1ccc(cc1)n1c(C)ccc(c1=O)C(=O)Nc1ccc(c(c1)F)Oc1cc2cnn(c2cc1c1c[nH]nc1)C
552.17
C30H22F2N6O3
10uM
CYP2B6
NA
Clc1ccc(cc1)Cc1ccncc1
203.05
C12H10ClN
10uM
IDO1
NA
NC(=N)SCc1ccc(cc1Cl)Cl
233.98
C8H8Cl2N2S
10uM
EDNRA
NA
COc1nc(nc(c1Oc1ccccc1OC)NS(=O)(=O)c1ccc(cn1)C)c1ccncc1
479.13
C23H21N5O5S
10uM
KCNK3
NA
COc1ccccc1C(=O)Nc1cccc(c1)NC(=O)c1cccc(c1)C
360.15
C22H20N2O3
10uM
LNPEP
NA
CCOC(=O)C1=C(N)Oc2c(C1c1cccnc1)ccc(c2)O
312.11
C17H16N2O4
10uM
GABRB3
NA
N#Cc1nn(c(c1S(=O)CC)N)c1c(Cl)cc(cc1Cl)C(F)(F)F
395.98
C13H9Cl2F3N4OS
10uM
CYP2A6
NA
NCc1onc(c1)c1cccnc1
175.07
C9H9N3O
10uM
ITGA2B;ITGB3
NA
CCCCS(=O)(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCCCCC1CCNCC1
440.23
C22H36N2O5S
10uM
EWSR1
NA
COc1ccc(cc1)C(=O)CC1(O)C(=O)Nc2c1c(Cl)ccc2Cl
365.02
C17H13Cl2NO4
10uM
OPN4
NA
COc1ccc(cc1C)S(=O)(=O)N1CCCCC1
269.11
C13H19NO3S
10uM
SLC5A2
SLC5A1
CCOc1ccc(cc1)Cc1cc(ccc1Cl)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O
408.13
C21H25ClO6
10uM
REN
NA
COCCCOc1cc(ccc1OC)C[C@H](C(C)C)C[C@@H]([C@H](C[C@H](C(=O)NCC(C(=O)N)(C)C)C(C)C)O)N
551.39
C30H53N3O6
10uM
RPS6KA3
RPS6KB1
OCCCn1c(C(=O)CF)c(c2c1ncnc2N)c1ccc(cc1)C
342.15
C18H19FN4O2
10uM
ILVBL
NA
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1ccccc1Cl
357.03
C12H12ClN5O4S
10uM
SSTR3
SSTR1
Nc1cccc(c1)OCc1ccccc1
199.1
C13H13NO
10uM
STAT3
NA
O=C(c1cc(nc2c1cccc2)c1ccccc1)Nc1nnc(o1)c1ccco1
382.11
C22H14N4O3
10uM
PRKAA2
NA
C1CCC(CC1)NC1CCCCC1
181.18
C12H23N
10uM
BBOX1
NA
OC(=O)CCN[N+](C)(C)C
147.11
C6H15N2O2
10uM
FLT3;KDR;KIT
FLT1;PDGFRB;PDGFRA;STK17A;CSF1R;FLT4;PHKG1;LRRK2;RET;BMP2K;PHKG2;AXL;ITK;AAK1;MAP4K1;CHEK2;CSNK1D;STK33;MYLK4;PAK3;ULK2;PRKAA1;IRAK1;TNIK;MAP3K19;STK4;STK10;GAK;CSNK1E;CLK2;CLK1;MERTK;DAPK3;RPS6KA2;ULK1;CLK4;RIOK1;MINK1;HIPK2;PIP4K2B;MAP4K2;STK11;MAP4K5;JAK1;RPS6KA5;ULK3;HIPK3;RIOK2;NUAK1;MYLK2;TYRO3;STK3;IRAK4;SLK;MAP3K7;MAP3K13;TTK;BLK;MAP3K12;STK24;RPS6KA3;RPS6KB1;MAP4K4;YES1;DCLK3;ROCK2;TBK1;STK17B;NTRK1;CDK16;DAPK1;MAP2K1;MAP2K2;CSNK1G2;EIF2AK4;CSNK2A1;MAP4K3;DAPK2;RPS6KA1;CAMK2A;SRPK2;PRKAA2;MYLK;NUAK2;STK16;CHEK1;PLK4;CSNK1G3;SRPK1;AURKC;RPS6KA4;STK26;MELK;PRKD3;ANKK1;CDK14;LYN;PRKD1;TLK2;STK25;FGR;CSNK2A2;MARK2;DCLK1;MUSK;MARK3;AURKB;CAMK1G;EPHB1;PRKD2;RIPK1;TYK2;INSRR;LATS2;CAMKK1;PTK2;BMPR2;ALK;EIF2AK2;FGFR4;NEK2;CAMK1D;LCK;TNK1;LATS1;FYN;CSNK1A1L;FRK;SIK2;IKBKE;CAMK4;TLK1;IRAK3;CSNK1G1;PKN1;CAMK2G;CDK7;FES;ABL2;STK38L;EPHA6;CAMK1;KCNH2;AURKA;JAK2;SRC;FGFR2;NTRK2;PAK7;TSSK1B;NTRK3;PTK2B;HCK;HTR2A;CAMK2D;FGFR3;INSR;TEK;ABL1;FGFR1
CCN(CCNC(=O)c1c(C)[nH]c(c1C)/C=C/1\C(=O)Nc2c1cc(F)cc2)CC
398.21
C22H27FN4O2
10uM
PLD1
PLD2
Fc1ccc2c(c1)cc([nH]2)C(=O)NCCN1CCC(CC1)n1c(=O)[nH]c2c1cccc2
421.19
C23H24FN5O2
10uM
ACKR3
NA
COc1cc(cc(c1OC)OC)C(=O)N(C/C(=C/c1ccccc1F)/C)CCC1CCCN1C
470.26
C27H35FN2O4
10uM
GRM8
NA
OC(=O)C(c1ccc(cc1)P(=O)(O)O)N
231.03
C8H10NO5P
10uM
LPAR1
NA
OC(=O)Cc1ccc(cc1)c1ccc(cc1)c1onc(c1NC(=O)O[C@@H](c1ccccc1Cl)C)C
490.13
C27H23ClN2O5
10uM
SCD
NA
Fc1ccc(c(c1)C(=O)N1CCN(CC1)c1ccc(nn1)C(=O)NCCC1CC1)C(F)(F)F
465.18
C22H23F4N5O2
10uM
KCNH2
NA
CCCCCCCN(CCCC(c1ccc(cc1)NS(=O)(=O)C)O)CC
384.24
C20H36N2O3S
10uM
GLUL
NA
OC(=O)C(CCP(=O)(O)C)N
181.05
C5H12NO4P
10uM
MPO
NA
NNC(=O)c1ccc(cc1)N
151.07
C7H9N3O
10uM
XIAP
BIRC2
CN[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1c1scc(n1)C(=O)c1ccc(cc1)F)C1CCCCC1)C
500.23
C26H33FN4O3S
10uM
HK2
NA
OC(=O)C(=O)CBr
165.93
C3H3BrO3
10uM
S1PR5
S1PR1;S1PR3;S1PR4
CCCCCCCCc1cccc(c1)NC(=O)[C@@H](COP(=O)(O)O)N
372.18
C17H29N2O5P
10uM
CA9
CA12
Oc1ccc2c(c1)oc(=O)cc2
162.03
C9H6O3
10uM
CMA1
NA
OC(=O)Cc1c(C(=O)O)n(c2c1cc(F)cc2)Cc1cccc2c1cccc2
377.11
C22H16FNO4
10uM
SHH
SMO;GLI1
COc1cc(OC)cc(c1)C(=O)Nc1ccc(c(c1)c1nc2c([nH]1)cc(cc2)N(C)C)Cl
450.15
C24H23ClN4O3
10uM
PDE4D
NA
OC(=O)C1CCC(CC1)c1cc2cccnc2c(n1)c1cccc(c1)F
350.14
C21H19FN2O2
10uM
MAPT
NA
OC(=O)c1cc(O)c2c(c1O)cccc2
204.04
C11H8O4
10uM
UPP1
NA
N#Cc1c(C)cc(nc1O)O
150.04
C7H6N2O2
10uM
MTNR1B
MTNR1A
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2
245.14
C15H19NO2
10uM
BTK
NA
OCc1c(cccc1n1ccc2c(c1=O)c(F)cc(c2)C1CC1)c1cc(Nc2ccc(cn2)N2CCN(CC2)C)c(=O)n(c1)C
606.28
C35H35FN6O3
10uM
JAK1;JAK2
TYK2;JAK3;ROCK2;RET
N#CC[C@@H](n1ncc(c1)c1ncnc2c1cc[nH]2)C1CCCC1
306.16
C17H18N6
10uM
MIF
TYR
Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)O)O
270.05
C15H10O5
10uM
KCNA3
KCNA5
O=c1ccc2c(o1)cc1c(c2OCCCCOc2ccccc2)cco1
350.12
C21H18O5
10uM
LIPG
NA
OB(c1ccc(cc1)C)O
136.07
C7H9BO2
10uM
P2RX3
NA
O=C(c1cc(C(=O)O)c(cc1C(=O)O)C(=O)O)N([C@H]1CCCc2c1cccc2)Cc1cccc(c1)Oc1ccccc1
565.17
C33H27NO8
10uM
SLC6A5
NA
COc1cc(cc(c1OCc1ccccc1)OC)C(=O)NCC1(CCCC1)N(C)C
412.24
C24H32N2O4
10uM
DAO
NA
Clc1ccc2c(c1)onc2O
168.99
C7H4ClNO2
10uM
TK1
NA
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
242.09
C10H14N2O5
10uM
SLC16A1
NA
N#C/C(=C\c1ccc(cc1)O)/C(=O)O
189.04
C10H7NO3
10uM
MMP1
MMP2;MMP9;MMP8;MMP13;MMP14;ADAM17;MMP12;ADAMTS4;MMP7;MMP3
ONC(=O)[C@H]([C@H](C(=O)N[C@@H](C(C)(C)C)C(=O)NC)CC(C)C)O
331.21
C15H29N3O5
10uM
TYK2
NA
Cc1cc(Nc2nccc(c2)NC(=O)c2c(Cl)cccc2Cl)nc(n1)N
388.06
C17H14Cl2N6O
10uM
CYP17A1
NA
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C
391.25
C26H33NO2
10uM
HTR2A
NA
CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C
427.26
C25H34FN3O2
10uM
MAOA
NA
C1CCC(CC1)C2=CC3=C(C=C2)[N]4CCNC5CCCC3=C45
294.21
C20H26N2
10uM
HTR2B
NA
CC(N)CC1=C[NH]C2=C1C=C(C=C2)OCC3=CC=CS3
286.11
C16H18N2OS
10uM
HTR1B
NA
CCCOC1=CC=C2[NH]C=C(C3=CCNCC3)C2=N1
257.15
C15H19N3O
10uM
ADRB1;ADRB3
ADRB2;BLM;MAPK1
CC(C)NCC(O)C1=CC(=C(O)C=C1)O
211.12
C11H17NO3
10uM
GCGR
NA
CCCOC1=CC=C(Br)C=C1C2=C([NH]C(=C2)C3=CC=C(Cl)C=C3)C4=CC=NC=C4
466.04
C24H20BrClN2O
10uM
NR1H2
NR1H3;ABCA1
OC(=O)CC1=CC(=CC=C1)OCCCN(CC(C2=CC=CC=C2)C3=CC=CC=C3)CC4=C(Cl)C(=CC=C4)C(F)(F)F
581.19
C33H31ClF3NO3
10uM
CNR1;CNR2
NA
CCCCCOC1=C2C=CC=CC2=C(C=C1)C(=O)C3=C4C=CC=CC4=CC=C3
368.18
C26H24O2
10uM
TPH1
NA
CCOC(=O)[C@H](Cc1ccc(cc1)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1n1ccc(n1)C)Cl)N
574.17
C27H26ClF3N6O3
10uM
CHRM4
BLM;CHRM3;CHRM2;CHRM1
CCN(CC1=CC=NC=C1)C(=O)C(CO)C2=CC=CC=C2
284.15
C17H20N2O2
10uM
ADRB1;ADRB2
HTR1A;HTR1B
CC(C)NCC(O)COC1=CC=CC2=C1C=C[NH]2
248.15
C14H20N2O2
10uM
TACR3
NA
COC(=O)C(NC(=O)C2=C1C=CC=CC1=NC(=C2)C3=CC=CC=C3)C4=CC=CC=C4
396.15
C25H20N2O3
10uM
HCAR2
NA
CC1(OC(=CC1=O)C(=O)O)C2=CC=CC=C2
218.06
C12H10O4
10uM
BLM
NA
CC[N+](CC)(CC)CC(=O)NC1=C(C)C=CC=C1C
263.21
C16H27N2O
10uM
UTS2R
NA
CN(C)CCC1(CC2=CC=CC=C2C(=O)O1)C3=CC=C(Cl)C=C3
329.12
C19H20ClNO2
10uM
FOLH1
NA
CC(C)C[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O
304.13
C12H20N2O7
10uM
KCNN3
KCNN2
CC1=N[N](C(=C1)C)C2=NC(=CC(=N2)C)NC3CCCCC3
285.2
C16H23N5
10uM
GRM2
NA
COC1=CC=CC=C1OC2=CC=C(C=C2)N(CC3=CC=CN=C3)[S](=O)(=O)CC(F)(F)F
452.1
C21H19F3N2O4S
10uM
CYP2C19
NA
NCCCCN[S](=O)(=O)C1=CC2=CC=CC(=C2C=C1)Cl
312.07
C14H17ClN2O2S
10uM
PDE3A
PDE3B;ENPP3
CN(C1CCCCC1)C(=O)CCCOC2=CC=C3NC(=O)C=CC3=C2
342.19
C20H26N2O3
10uM
CHRM1
CHRM3;CHRM4;CHRM5;CHRM2
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
351.17
C19H21N5O2
10uM
FYN;LCK
HCK;LYN;RET;BTK;SRC;FGFR1;CSF1R;EPHB4;ERBB2;EGFR;PDGFRB;KDR;KIT;ABL1
CC1=CC=C(C=C1)C2=N[N](C3=NC=NC(=C23)N)C(C)(C)C
281.16
C16H19N5
10uM
HCRTR1
NA
CC1=NC2=CC=C(NC(=O)NC3=CC=NC4=CC=CN=C34)C=C2O1
319.11
C17H13N5O2
10uM
HRH4
NA
CC1=C(CCN)[NH]C=N1
125.1
C6H11N3
10uM
ECE1
NA
OC(=O)C(CC1=CC=C2C(=C1)OC3=C2C=CC=C3)NC[P+]([O-])(O)O
349.07
C16H16NO6P
10uM
TGFBR1
NA
[NH]1C=C(C2=C3C=CC=CC3=NC=C2)C(=N1)C4=NC=CC=C4
272.11
C17H12N4
10uM
SCN10A
NA
COC1=CC(=CC(=C1)OC)NC(=O)C2=CC=C(O2)C3=CC=C(Cl)C=C3
357.08
C19H16ClNO4
10uM
CYP11B1
CYP11B2;HSD11B1
CC(C)(C(=O)C1=CN=CC=C1)C2=CN=CC=C2
226.11
C14H14N2O
10uM
HTR1A
NA
O=C1CC2(CCCC2)CC(=O)N1CCNCC3COC4=C(O3)C=CC=C4
358.19
C20H26N2O4
10uM
HTR4
NA
CCCCN1CCC(CC1)CCC(=O)C2=C(OC)C=C(N)C(=C2)Cl
352.19
C19H29ClN2O2
10uM
SLC6A12
SLC6A1
OC(=O)C1CCCN(CCC=C(C2=CC=CC=C2)C3=CC=CC=C3)C1
335.19
C22H25NO2
10uM
PDE3B
PDE3A;ENPP3;BLM;PDE4D;PDE4A
CC1=C(C=C(C#N)C(=O)N1)C2=CC=NC=C2
211.07
C12H9N3O
10uM
RAC1
NA
CCN(CC)CCCC(C)NC1=NC(=CC(=N1)NC2=CC3=C(N)C=C(C)N=C3C=C2)C
421.3
C24H35N7
10uM
CHRM1
CHRM3;CHRM4;CHRM5;CHRM2
CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
351.17
C19H21N5O2
10uM
IKBKB
JAK2;CHUK
NC(=O)NC1=C(C=C(S1)C2=CC=C(F)C=C2)C(N)=O
279.05
C12H10FN3O2S
10uM
CXCR2
CXCR1
OC1=C(NC(=O)NC2=C(Br)C=CC=C2)C=CC(=C1)[N+]([O-])=O
350.98
C13H10BrN3O4
10uM
PIM1
NA
OC1=C(C=C(Br)C=C1)C2=CC(=C(C#N)C(=O)N2)C3=CC=CC=C3
366
C18H11BrN2O2
10uM
NOS1
NA
ClC1=CC=CC(=C1)CNCCC2=CC=C(NC(=N)C3=CC=CS3)C=C2
369.11
C20H20ClN3S
10uM
SLC6A3
SIGMAR1;SLC6A2;SLC6A4
FC1=CC=C(C=C1)C(OCCN2CCN(CCCC3=CC=CC=C3)CC2)C4=CC=C(F)C=C4
450.25
C28H32F2N2O
10uM
HCN4
HCN1
CCN(C1=CC=CC=C1)C2=NC(=[N+](C)C(=C2)NC)C
257.18
C15H21N4
10uM
ESR2
BLM;ESR1;CFTR;EGFR
OC1=CC=C(C=C1)C3=COC2=C(C(=CC(=C2)O)O)C3=O
270.05
C15H10O5
10uM
ADRA1B
ADRA1D;ADRA1A;ADRA2B;ADRA2C;KCNH2
COC1=C(OC)C=C2C(=NC(=NC2=C1)N3CCN(CC3)C(=O)C4CCCO4)N
387.19
C19H25N5O4
10uM
GRIK1
NA
OC(=O)C1=C(NC(=O)C2=CC=CC=C2)C=C(NC(=O)C3=CC=CC=C3)C(=C1)C(O)=O
404.1
C22H16N2O6
10uM
S1PR2
NA
CC(C)C1=CC(=NC2=C1C(=N[N]2C)C)NNC(=O)NC3=CC(=NC(=C3)Cl)Cl
407.1
C17H19Cl2N7O
10uM
NMBR
GRPR;FPR1;FPR2
COC1=CN=C(C=C1)C2(CCCCC2)CNC(=O)[C@](C)(CC3=C[NH]C4=CC=CC=C34)NC(=O)NC5=CC=C(C=C5)[N+]([O-])=O
584.28
C32H36N6O5
10uM
ADORA2B
ADORA1;ADORA2A;ADORA3
CCCN1C(=O)N(CCC)C2=C([NH]C(=N2)C3=CC=C(OCC(=O)NC4=CC=C(C=C4)C#N)C=C3)C1=O
486.2
C26H26N6O4
10uM
SLC6A2
SLC6A4;SLC6A3;CHRM2;CHRM1;CHRM5;CHRM4;CHRM3;ADRA1A;HRH1;HTR2A
CNCCCN1C2=CC=CC=C2CCC3=CC=CC=C13
266.18
C18H22N2
10uM
C5AR1
NA
CCCC[N]1C(=C(N=C1C2=CC=CC=C2)C3=CC=CC=C3)CN(CC4=CC=C5OCOC5=C4)CC6=CC=C7OCOC7=C6
573.26
C36H35N3O4
10uM
HTR2A;HTR6
CHRM1;HTR2C;ADRA1A;ADRA1B;DRD4;HTR2B;ADRA1D;HTR7;DRD5;DRD3;BLM;HRH1;ADRA2C;CHRM3;CHRM5;CHRM4;HTR3A;DRD2;ADRA2A;ADRA2B;CHRM2;KCNH2;DRD1;HRH2;HTR1A;HRH4;HTR1F;HTR1D;HTR1B;HTR1E
CN1CCN(CC1)C2=NC3=CC(=CC=C3NC4=CC=CC=C24)Cl
326.13
C18H19ClN4
10uM
DRD4
DRD3
CC1=C(ON=C1C2CCN(CC2)CCC3=CC=CC=C3)C4=CC=C(Cl)C=C4
380.17
C23H25ClN2O
10uM
CNR2
CNR1
COC1=CC=C(C=C1)C(=O)C2=C(C)[N](CCN3CCOCC3)C4=CC(=CC=C24)I
504.09
C23H25IN2O3
10uM
PTGS1
NA
COC1=CC=C(C=C1)[N]2N=C(C=C2C3=CC=C(C=C3)Cl)C(F)(F)F
352.06
C17H12ClF3N2O
10uM
CCKAR
NA
OC(=O)C[N]1C2=C(C=CC=C2)C=C1C(=O)NC3=NC(=CS3)C4=CC=CC=C4Cl
411.04
C20H14ClN3O3S
10uM
PDE3A;PDE3B
PDE4D;PDE4A;PDE4C
ClC1=C(C3=C(C=C1)N=C2NC(=O)CN2C3)Cl
255
C10H7Cl2N3O
10uM
PTPN11
NA
OC1=C2N=CC=CC2=C(C=C1N=NC3=CC4=CC=C(C=C4C=C3)[S](O)(=O)=O)[S](O)(=O)=O
459.02
C19H13N3O7S2
10uM
SLC6A9
NA
CN(CCC(OC1=CC=C(C=C1)C2=CC=CC=C2)C3=CC=C(C=C3)F)CC(=O)O
393.17
C24H24FNO3
10uM
TPSAB1
TPSB2;PRSS1;C1S;F11;PLG;PLAT;PROC;F2;F12;KLK1
NC(=N)NC1=CC=C(C=C1)C(=O)OC3=CC2=CC=C(C=C2C=C3)C(=N)N
347.14
C19H17N5O2
10uM
EHMT2;EHMT1
NA
COC1=C(OC)C=C2C(=NC(=NC2=C1)N3CCCN(C)CC3)NC4CCN(CC4)CC5=CC=CC=C5
490.31
C28H38N6O2
10uM
SIGMAR1
NA
CN(CCN1CCCC1)CCC2=CC=C(Cl)C(=C2)Cl
300.12
C15H22Cl2N2
10uM
ADRA1D;HTR1A
ADRA1B;ADRA1A
COC1=CC=CC=C1N2CCN(CC2)CCN3C(=O)CC4(CCCC4)CC3=O
385.24
C22H31N3O3
10uM
HTR1E;HTR1F
NA
CN1CCC(CC1)C2=C[NH]C3=CC=C(O)C=C23
230.14
C14H18N2O
10uM
GSK3A
GSK3B
C[N]3C=C(C1=C(C(=O)NC1=O)C2=C(C=C(C=C2)Cl)Cl)C4=C3C=CC=C4
370.03
C19H12Cl2N2O2
10uM
NPY1R
NA
CC(C)C1=CC=CC=C1[S](=O)(=O)C2=C(C3=C(N=CC=C3)C(=C2)N)[N+]([O-])=O
371.09
C18H17N3O4S
10uM
CA2;CA5A;CA9
CA10;CA11;CA8;CA1;CA6;CA7;CA3;CA13;MAOB;CA4;CA14;CA5B;CA12
N[S](=O)(=O)CC1=NOC2=C1C=CC=C2
212.03
C8H8N2O3S
10uM
PRKDC
NA
O=C1C=C(OC2=C3C=CC=CC3=CC=C12)N4CCOCC4
281.1
C17H15NO3
10uM
HTR2A;HTR2C
DRD2;HTR1A;HTR1D;HTR2B;ADRA1A;DRD3;ADRA1B;HTR7;ADRA1D;CHRM1;SLC6A4;KCNH2;HRH1;HTR1B;HTR1E;DRD4;DRD1;HTR6;ADRA2A;ADRA2B;ADRA2C;CHRM3
ClC2=C(C=C1CC(NC1=C2)=O)CCN3CCN(CC3)C4=NSC5=CC=CC=C45
412.11
C21H21ClN4OS
10uM
HEXA
NA
OCC2O\C(=N/OC(=O)NC1=CC=CC=C1)C(NC(C)=O)C(O)C2O
353.12
C15H19N3O7
10uM
SLC29A1;SLC29A2
CSNK2A1;ENPP6;PDE5A;PDE10A;PDE4A;PDE2A
OCCN(CCO)C1=NC2=C(N=C(N=C2N3CCCCC3)N(CCO)CCO)C(=N1)N4CCCCC4
504.32
C24H40N8O4
10uM
ADORA2A
ADORA1;ADORA2B
NC1=NC(=NC2=NC(=N[N]12)C3=CC=CO3)NCCC4=CC=C(O)C=C4
337.13
C16H15N7O2
10uM
ALOX5AP
ALOX5
CC(C)C1=CC2=C(C=C1)[N](CC3=CC=C(Cl)C=C3)C(=C2SC(C)(C)C)CC(C)(C)C(O)=O
471.2
C27H34ClNO2S
10uM
DRD5
DRD1
OC1=CC=C(C=C1)C2CNCCC3=C(Cl)C(=C(O)C=C23)O
305.08
C16H16ClNO3
10uM
ESR1
ESR2;AOX1;ADRA2C;SLC6A2;HTR2B;HTR2A;DRD2
OC1=CC=C(C=C1)C2=C(C(=O)C3=CC=C(OCCN4CCCCC4)C=C3)C5=C(S2)C=C(O)C=C5
473.17
C28H27NO4S
10uM
HCAR3
NA
CC(C)[N]1N=NC2=C1C=CC(=C2)C(=O)O
205.08
C10H11N3O2
10uM
MMP13
MMP3;MMP9
CC1=CC(=C(N(CC2=CC=CC=C2)[S](=O)(=O)C3=CC=C(OCCNC(=O)C4=CC5=C(O4)C=CC=C5)C=C3)C(=C1)C(=O)NO)C
613.19
C33H31N3O7S
10uM
TRPA1
NA
CC(C)C1=CC=C(NC(=O)C[N]2C=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
355.16
C18H21N5O3
10uM
CDC7
CDK9;PKN2;CCNT1;PRKCQ;ROCK2;STK17A;GSK3B;CDK1;CDK2;PLK1;MAPKAPK5
O=C1NCCC2=C1C=C([NH]2)C3=CC=NC=C3
213.09
C12H11N3O
10uM
CYP19A1
NA
CC(C)(C#N)C1=CC(=CC(=C1)C[N]2C=NC=N2)C(C)(C)C#N
293.16
C17H19N5
10uM
RXRA
NA
CC1(C)CCC(C)(C)C2=CC(=CC=C12)C3(OCCO3)C4=CC=C(C=C4)C(O)=O
380.2
C24H28O4
10uM
MAPK3
MAPK1
NC1=N[NH]C2=C1C=C(N=N2)C3=C4C=CC=C[N]4N=C3C5=CC=CC=C5
327.12
C18H13N7
10uM
USP14
NA
CC1=CC(=C(C)[N]1C2=CC=C(F)C=C2)C(=O)CN3CCCC3
300.16
C18H21FN2O
10uM
HRH1;HTR2A
HTR2C;HTR6;DRD2;ADRA1A;ADRA1B;HTR2B;ADRA1D;CHRM1;DRD3;CHRM5;DRD4;HRH2;CHRM2;CHRM4;DRD1;KCNH2;CHRM3;DRD5;ADRA2C;ADRA2B;ADRA2A;HTR7;HTR1D;HTR3A;HTR1A;HTR1B;HTR1E
CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(C)S4
312.14
C17H20N4S
10uM
CNR1
NA
CC(F)(F)CN1CCOC2=C([N](N=C2C1=O)C3=CC=CC=C3Cl)C4=CC=C(Cl)C=C4
451.07
C21H17Cl2F2N3O2
10uM
PARP2
PARP1
NC(=O)c1cccc2c1nc([nH]2)[C@]1(C)CCCN1
244.13
C13H16N4O
10uM
USP1
NA
Cc1cnc(nc1NCc1ccc(cc1)n1nncc1)c1ccccc1C(C)C
384.21
C23H24N6
10uM
SPHK1
NA
OC[C@H]1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
465.2
C27H31NO4S
10uM
BRD4
NA
NC(=O)C[C@@H]1N=C(c2ccc(cc2)Cl)c2c(n3c1nnc3C)sc(c2C)C
399.09
C19H18ClN5OS
10uM
CENPE
NA
CN(CC(=O)NC[C@@H](NC(=O)c1ccc(c(c1)Cl)OC(C)C)Cc1ccc(cc1)c1nc2n(c1)cccc2[C@@H](O)C)C
591.26
C32H38ClN5O4
10uM
RARA;RARB
NA
CC1(C)CCC(C)(C)C2=C1C=CC(=C2)NC(=O)C3=CC=C(C=C3)C(O)=O
351.18
C22H25NO3
10uM
HRH3
CYP2D6
ClC1=CC=C(CCCOCCCN2CCCCC2)C=C1
295.17
C17H26ClNO
10uM
TRPV4
KCNH2
CC1=C(C=C([N]1CCCN2CCOCC2)C3=CC=CC=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F
471.21
C26H28F3N3O2
10uM
SLC6A2;SLC6A4
NA
CC1=CC=C(C=C1)C23CNCC2C3
173.12
C12H15N
10uM
BCHE
ACHE;SLC6A2
NC1=C2CCCCC2=NC3=CC=CC=C13
198.12
C13H14N2
10uM
HSD17B1
NA
Oc1cccc(c1)c1ccc(s1)c1ccc(c(c1)C)O
282.07
C17H14O2S
10uM
PAK4
PAK6;PAK1;PAK3;PAK2
CN(C[C@H](c1ccccc1)NC(=O)N1Cc2c(C1(C)C)[nH]nc2Nc1nc(C)nc2c1scc2)C
490.23
C25H30N8OS
10uM
MAPK1
NA
OC[C@H](c1cccc(c1)Cl)NC(=O)c1[nH]cc(c1)c1nc(ncc1C)Nc1ccc(cc1Cl)F
499.1
C24H20Cl2FN5O2
10uM
EIF2AK3
NA
O=C(N1CCc2c1ccc(c2)c1cn(c2c1c(N)ncn2)C)Cc1cccc(c1)C(F)(F)F
451.16
C24H20F3N5O
10uM
LSS
NA
C=CCN(CCCCCCOc1ccc(c(c1)F)C(=O)c1ccc(cc1)Br)C
447.12
C23H27BrFNO2
10uM
ATM
PIK3CD
O=C1C=C(OC(=C1)C3=C2SC4=C(SC2=CC=C3)C=CC=C4)N5CCOCC5
395.06
C21H17NO3S2
10uM
TNKS2
TNKS;PARP2
OC1=C2CSCCC2=NC(=N1)C3=CC=C(C=C3)C(F)(F)F
312.05
C14H11F3N2OS
10uM
SLC22A8
SLC22A6;SLC22A11
CCCN(CCC)[S](=O)(=O)C1=CC=C(C=C1)C(O)=O
285.1
C13H19NO4S
10uM
ABL1;SRC
LCK;ABL2;MAP4K5;BTK;YES1;FRK;HCK;FGR;MAP4K2;MAP4K4;TNK2;MINK1;LYN;EPHB4;EPHB2;EPHA4;ERBB4;CSK;MAP2K2;SYK;KIT;PDGFRB;FYN;TBK1;EGFR;MAP3K13;MAP3K12;MAP2K1;PRKCQ;BCR;ALK;AXL;MAP3K2;CAMK2G
COC1=C(Cl)C=C(Cl)C(=C1)NC2=C3C=C(OC)C(=CC3=NC=C2C#N)OCCCN4CCN(C)CC4
529.16
C26H29Cl2N5O3
10uM
ITGA2B
NA
OC(=O)C[C@@H]1NC(=O)CNC(=O)[C@H](CCCCNC(=N)N)NC(=O)CCSSC[C@H](NC(=O)[C@H]2N(C(=O)[C@@H](NC1=O)Cc1c[nH]c3c1cccc3)CCC2)C(=O)N
831.32
C35H49N11O9S2
10uM
SMO
SHH
O[C@H]1CCC2(C(=CC[C@H]3[C@@H]2CC2=C(C)[C@]4(CC[C@@H]32)O[C@@H]2[C@H]([C@H]4C)NC[C@H](C2)C)C1)C
411.31
C27H41NO2
10uM
ARG1;ARG2
NA
OB(CCSC[C@@H](C(=O)O)N)O
193.06
C5H12BNO4S
10uM
AURKA
KDR;ABL1;BTK
COc1cccc(c1C1=NCc2c(c3c1cc(Cl)cc3)nc(nc2)Nc1ccc(c(c1)OC)C(=O)O)F
518.12
C27H20ClFN4O4
10uM
PTGDR2
NA
OC(=O)Cc1c(C)n(c2c1cccn2)Cc1ccc(cc1C(F)(F)F)S(=O)(=O)C
426.09
C19H17F3N2O4S
10uM
HRH3;HRH4
BLM;HRH1;HRH2
NCCC1=C[NH]C=N1
111.08
C5H9N3
10uM
RBP4
NA
OC(=O)C1=C(NC(=O)N2CCC(CC2)C3=C(C=CC=C3)C(F)(F)F)C=CC=C1
392.14
C20H19F3N2O3
10uM
PPIA
NA
C1=C2C(=CC=C1)C4=C(C2NC(NC(=O)C3=C(C=CC=C3F)Cl)=O)C=CC=C4
380.07
C21H14ClFN2O2
10uM
GRM4
NA
C1=CN=C(C=C1)NC4=NC2=C(CCCC3=N[NH]C=C23)S4
283.09
C14H13N5S
10uM
AKR1C3
NA
OC(=O)c1cccc(c1)Nc1ccc(cc1)C(F)(F)F
281.07
C14H10F3NO2
10uM
AKT2
PDK1;PDPK1;CDK2;KIT;KDR
O=C(N1CCCC1)Nc1cccc(c1)Nc1ncc(c(n1)NCCc1c[nH]cn1)Br
470.12
C20H23BrN8O
10uM
PDPK1
NA
CNc1nc(cc(n1)c1ccc2c(c1)[nH]nc2N)N1C[C@H](CC[C@H]1C)C(=O)NC1CCCCC1
462.29
C25H34N8O
10uM
ITGB1
ITGA4;ITGB7
COc1cccc(c1c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(Cl)cccc1Cl)OC
473.08
C24H21Cl2NO5
10uM
RAF1
BRAF;MAPK1
N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C
451.2
C27H25N5O2
10uM
FLT3
KIT;RET;PDGFRB;CSF1R;PDGFRA;FLT4;FLT1;KDR
O=C(Nc1noc(c1)C(C)(C)C)Nc1ccc(cc1)c1cn2c(n1)sc1c2ccc(c1)OCCN1CCOCC1
560.22
C29H32N6O4S
10uM
DRD2;DRD3;DRD4
DRD5;APP;SLC6A2;DRD1;SLC6A3
NCCC1=CC(=C(O)C=C1)O
153.08
C8H11NO2
10uM
NTRK2
NA
OC1=C(C2=C(C=C1)C(=O)C=C(O2)C3=CC=CC=C3)O
254.06
C15H10O4
10uM
PLD2
NA
FC1=CC(=CC=C1)N2CNC(=O)C23CCN(CCNC(=O)C4=CC5=CC=CC=C5C=C4)CC3
446.21
C26H27FN4O2
10uM
XDH
NA
CC(C)COC1=CC=C(C=C1C#N)C2=NC(=C(S2)C(O)=O)C
316.09
C16H16N2O3S
10uM
ACACA;ACACB
NA
CCCCCCCCCCCCCCOc1ccc(o1)C(=O)O
324.23
C19H32O4
10uM
HDAC2
HDAC6
CCOC(=O)NCCCC(=O)NCCc1ccccc1
278.16
C15H22N2O3
10uM
GPER1
NA
CC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](N2)c1cc2OCOc2cc1Br
411.05
C21H18BrNO3
10uM
SIRT1
NA
NC(=O)[C@H]1CCCc2c1[nH]c1c2cc(cc1)Cl
248.07
C13H13ClN2O
10uM
LIMK1
LIMK2
O=C(C(C)C)Nc1ncc(s1)c1cc(nn1c1c(Cl)cccc1Cl)C(F)F
430.02
C17H14Cl2F2N4OS
10uM
RPS6KB1
NA
Cn1cc(nc1C1CCN(CC1)c1ncnc2c1cn[nH]2)c1ccc(c(c1)C(F)(F)F)F
445.16
C21H19F4N7
10uM
SGK1
NA
OC(=O)C1=C(C=C(C=C1)C2=C[NH]C3=NC=C(C=C23)C4=CC=CC=C4)C5CCCC5
382.17
C25H22N2O2
10uM
DRD2;DRD3
DRD4;ADRA2C;ADRA2A;ADRA2B;DRD1;DRD5;HTR1A
CCCN(CCC1=CC=CS1)C2CCC3=C(C2)C=CC=C3O
315.17
C19H25NOS
10uM
ICAM1
NA
CC1=C(C=N[N]1C2=NC(=CS2)C3=CC=CC(=C3)C(F)(F)F)C(=O)NCCCO
410.1
C18H17F3N4O2S
10uM
ERN1
NA
CC1=CC(=O)OC2=C1C=CC(=C2C=O)O
204.04
C11H8O4
10uM
EPHX2
EPHX1
OC(=O)CCCCCCCCCCCNC(=O)NC12CC3CC(C2)CC(C1)C3
392.3
C23H40N2O3
10uM
MYC
NA
[O-][N+](=O)c1ccc(c2c1non2)Nc1ccccc1c1ccccc1
332.09
C18H12N4O3
10uM
AHCY
NA
Nc1nccc2c1ncn2[C@@H]1C=C([C@H]([C@H]1O)O)CO
262.11
C12H14N4O3
10uM
PSMB5
CTSK;PSMB1;CTSB;NFKB1;PSMB2
O=C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)CC(C)C)CC(C)C)CC(C)C
475.3
C26H41N3O5
10uM
XPO1
NA
O=C(/C=C\n1cnc(n1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)NNc1cnccn1
443.09
C17H11F6N7O
10uM
NISCH
NA
ClC1=C(NC2=NCCN2)C3=NSN=C3C=C1
253.02
C9H8ClN5S
10uM
RXRB
NA
CN1C2=CC=C(C=C2N=C(C3=CC=C(C=C3)C(O)=O)C4=CC5=C(C=C14)C(C)(C)CCC5(C)C)[N+]([O-])=O
483.22
C29H29N3O4
10uM
GPR139
NA
COC1=CC(=CC(=C1)OC)C(=O)NNC(=O)NC2=CC=CC3=C2C=CC=C3
365.14
C20H19N3O4
10uM
DRD1
NA
CC5=C(CCN1CCC(CC1)C2=NOC3=CC(=CC=C23)F)C(=O)N4CCCC(O)C4=N5
426.21
C23H27FN4O3
10uM
PNP
NA
OC[C@H]1N[C@H]([C@@H]([C@@H]1O)O)c1c[nH]c2c1nc[nH]c2=O
266.1
C11H14N4O4
10uM
PSEN1
APP;NOTCH4;NOTCH3;NOTCH2;NOTCH1
Fc1cc(F)cc(c1)[C@@H](C(=O)N[C@H](C(=O)N[C@H]1c2ccccc2c2c(N(C1=O)C)cccc2)C)O
479.17
C26H23F2N3O4
10uM
ADRB1
NA
COC(=O)CCc1ccc(cc1)OCC(CNC(C)C)O
295.18
C16H25NO4
10uM
USP7
NA
[O-][N+](=O)c1cc(sc1Sc1cccc(c1Cl)Cl)C(=O)C
346.92
C12H7Cl2NO3S2
10uM
GRIN3A
NA
CC(=O)NCCC[S](=O)(=O)O
181.04
C5H11NO4S
10uM
EHMT2
EHMT1
COC1=CC2=C(NC3CCN(CC3)C(C)C)N=C(N=C2C=C1OCCCN4CCCC4)C5CCCCC5
509.37
C30H47N5O2
10uM
AGTR1
NA
CCCC1=NC(=C([N]1CC2=CC=C(C=C2)C3=C(C=CC=C3)C4=NN=N[NH]4)C(=O)OCC5=C(C)OC(=O)O5)C(C)(C)O
558.22
C29H30N6O6
10uM
BRAF
NA
COC(=O)N[C@H](CNc1nccc(n1)c1cn(nc1c1cc(Cl)cc(c1F)NS(=O)(=O)C)C(C)C)C
539.15
C22H27ClFN7O4S
10uM
S1PR1;S1PR3
S1PR4;S1PR5;S1PR2
CCCCCCCCc1ccc(cc1)CCC(CO)(CO)N
307.25
C19H33NO2
10uM
PDF
ANPEP
CCCCC[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C)CC(=O)NO
385.26
C19H35N3O5
10uM
MPL
NA
OC(=O)c1cccc(c1)c1cccc(c1O)N/N=C\1/C(=NN(C1=O)c1ccc(c(c1)C)C)C
442.16
C25H22N4O4
10uM
HTR1F
NA
CN([C@@H]1CCc2c(C1)c1cc(ccc1[nH]2)NC(=O)c1ccc(cc1)F)C
351.18
C21H22FN3O
10uM
BMP1
NA
ONC(=O)C[C@H](c1onc(n1)C(=O)N)CCCC1CCCCC1
324.18
C15H24N4O4
10uM
FGFR1
FGFR3;FGFR2;FGFR4
COc1cc(CCc2[nH]nc(c2)NC(=O)c2ccc(cc2)N2C[C@H](C)N[C@@H](C2)C)cc(c1)OC
463.26
C26H33N5O3
10uM
PNPLA2
NA
CN(C(=O)Nc1cccc(c1)c1ccc(cc1)N(C)C)C
283.17
C17H21N3O
10uM
IRAK4
IRAK1
O=C(c1cccc(c1)[N+](=O)[O-])Nc1nc2c(n1CCN1CCOCC1)cccc2
395.16
C20H21N5O4
10uM
AVPR2
AVPR1B;AVPR1A
Clc1ccc2c(c1)C(O)CCCN2C(=O)c1ccc(cc1C)NC(=O)c1ccccc1C
448.15
C26H25ClN2O3
10uM
CDA
NA
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cccnc1=O
228.07
C9H12N2O5
10uM
DRD2;HTR1A
HTR2A;DRD3;HTR2B;CHRM5;DRD4;HTR1E;ADRA1D;ADRA1A;HTR7;SLC6A4;HTR2C;HRH1;KCNH2;ADRA1B;HTR1D;ADRA2C;ADRA2A;ADRA2B;HTR6;CHRM4;CHRM2;DRD5;CHRM3;HTR3A;CHRM1;DRD1;HTR1B
O=C1CCc2c(N1)cc(cc2)OCCCCN1CCN(CC1)c1cccc(c1Cl)Cl
447.15
C23H27Cl2N3O2
10uM
ADRB3
NA
O=C(Cc1csc(n1)N)Nc1ccc(cc1)CCNC[C@@H](c1ccccc1)O
396.16
C21H24N4O2S
10uM
NR1I2
NA
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C2=O)c2c(c(c3C)O)c(O)c(c3c2nc2n3ccc(c2)C)NC(=O)/C(=C\C=C\[C@@H]([C@@H]([C@H]([C@H]([C@H]([C@@H]([C@@H]1C)OC(=O)C)C)O)C)O)C)/C
785.35
C43H51N3O11
10uM
PIK3CA
PIK3CD;AKT1;AKT2;AKT3;PIK3CG;MTOR;PIK3CB
CS(=O)(=O)N1CCN(CC1)Cc1cc2c(s1)c(nc(n2)c1cccc2c1cn[nH]2)N1CCOCC1
513.16
C23H27N7O3S2
10uM
CA7;CA2;CA12
CA6;CA13;CA11;CA8;CA10;CAPN2;CA9;CA4;CA14;CA5B;CA5A;CA1;CA3
CC(=O)Nc1nnc(s1)S(=O)(=O)N
221.99
C4H6N4O3S2
10uM
HTR1A;SLC6A4
NA
N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2
441.22
C26H27N5O2
10uM
L3MBTL3
NA
O=C(c1ccc(c(c1)Nc1ccccc1)C(=O)N1CCC(CC1)N1CCCC1)N1CCC(CC1)N1CCCC1
529.34
C32H43N5O2
10uM
VCP
NA
Cc1cc(OCc2nnc(n2c2cccnc2)SC2CCCC2)ccc1c1ccc(cc1)S(=O)(=O)C
520.16
C27H28N4O3S2
10uM
PIK3CD
PIK3CG;PIK3CB
CC[C@@H](c1nc2cccc(c2c(=O)n1c1ccccc1)F)Nc1ncnc2c1nc[nH]2
415.16
C22H18FN7O
10uM
ABL1
LCK;YES1;SRC;BCR;FYN;ABL2;BTK;EPHA3;FRK;BLK;EPHA8;EPHA5;FGR;EPHB4;EPHB1;LYN;CSF1R;EPHB2;DDR1;STAT5B;HCK;EPHA2;PDGFRA;CSK;PDGFRB;EPHA4;TXK;BMX;KIT;SIK1
OCCN1CCN(CC1)c1cc(nc(n1)C)Nc1ncc(s1)C(=O)Nc1c(C)cccc1Cl
487.16
C22H26ClN7O2S
10uM
ADRA2A
ADRA2B;ADRA2C;HTR1D
COC(=O)[C@H]1[C@@H](O)CC[C@@H]2[C@@H]1C[C@@H]1N(C2)CCc2c1[nH]c1c2cccc1
354.19
C21H26N2O3
10uM
JAK1
JAK2;TYK2;CDK2;JAK3
N#CCNC(=O)c1ccc(cc1)c1ccnc(n1)Nc1ccc(cc1)N1CCOCC1
414.18
C23H22N6O2
10uM
TDP1
NA
Oc1ccc2c(c1)Oc1c(C32OC(=O)c2c3cccc2)ccc(c1)O
332.07
C20H12O5
10uM
AR
NA
CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(c(c1)C(F)(F)F)C#N
464.09
C21H16F4N4O2S
10uM
ABL1;BCR
NA
OCCNC(=O)c1cccc(c1)c1ncnc(c1)Nc1ccc(cc1)OC(F)(F)F
418.12
C20H17F3N4O3
10uM
HSVHELICASE
NA
O=C(N(c1nc(c(s1)S(=O)(=O)N)C)C)Cc1ccc(cc1)c1ccccn1
402.08
C18H18N4O3S2
10uM
GSK3B
NA
O=c1sn(c(=O)n1Cc1ccccc1)c1cccc2c1cccc2
334.08
C19H14N2O2S
10uM
CDK7
CDK2
NCCCCCCNc1cc(NCc2ccccc2)n2c(n1)c(cn2)C(C)C
380.27
C22H32N6
10uM
SQLE
CYP2D6
CN(Cc1cccc2c1cccc2)C/C=C/C#CC(C)(C)C
291.2
C21H25N
10uM
ABCC8
CYP3A4
CCOc1cc(ccc1C(=O)O)CC(=O)N[C@H](c1ccccc1N1CCCCC1)CC(C)C
452.27
C27H36N2O4
10uM
HDAC6
HDAC8
ONC(=O)c1ccc(cc1)Cn1c2ccccc2c2c1CCN(C2)C
335.16
C20H21N3O2
10uM
CES2
CES3;CES5A;CES1
COc1ccc(cc1)C(=O)C(=O)c1ccccc1
240.08
C15H12O3
10uM
RAPGEF4
NA
Cc1cc(C)c(c(c1)C)S(=O)(=O)n1cc(cc1C)C
277.11
C15H19NO2S
10uM
ADRA1D;ADRA1B;ADRA1A;HRH1
HTR6;DRD2;HTR2A;ADRA2C;CHRM1;ADRA2B;ADRA2A;HTR2B;HTR3A;DRD3;HTR1A;DRD1;HTR1F;HTR7;CHRM5;HTR1E;CHRM3;CHRM2;CHRM4;DRD4;HTR1B;HTR2C;HTR1D
OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
383.17
C21H25N3O2S
10uM
PRKCB;PRKCQ
PRKCA;PRKCD;PIM2;PRKCH;PRKCE;PRKCG;CAMK2D;RPS6KA3;RPS6KB1;PKN2;PIM3;KDR;PIM1;JAK3;PRKCZ;GSK3B
CN1CCN(CC1)c1nc2ccccc2c(n1)C1=C(C(=O)NC1=O)c1c[nH]c2c1cccc2
438.18
C25H22N6O2
10uM
ATR
NA
O=C(c1nc(cnc1N)c1ccc(cc1)S(=O)(=O)C)Nc1ccccc1
368.09
C18H16N4O3S
10uM
PLG
NA
NC[C@@H]1CC[C@H](CC1)C(=O)O
157.11
C8H15NO2
10uM
PIK3CB
AKT3;AKT1;AKT2;PIK3CD
Cc1cc(C(Nc2ccccc2)C)c2n(c1)c(=O)cc(n2)N1CCOCC1
364.19
C21H24N4O2
10uM
DPP4
NA
N#Cc1ccccc1Cn1c(cc(=O)n(c1=O)C)N1CCC[C@H](C1)N
339.17
C18H21N5O2
10uM
CDK4
CCND1;CCND3;CCND2;CDK6;CLK4
CC(=O)c1c(C)c2cnc(nc2n(c1=O)C1CCCC1)Nc1ccc(cn1)N1CCNCC1
447.24
C24H29N7O2
10uM
CYP2C9
SLC22A12
CCc1oc2c(c1C(=O)c1cc(Br)c(c(c1)Br)O)cccc2
421.92
C17H12Br2O3
10uM
FLT3;JAK2
ABL1;RET;PTK2;PDGFRB;JAK1;SRC;KIT;TBK1;YES1;TYK2;MAPK10;MAPK9;FGFR1;FGFR2;MERTK;JAK3
Cc1cnc(nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C)Nc1ccc(cc1)OCCN1CCCC1
524.26
C27H36N6O3S
10uM
SLC12A1;SLC12A2
NA
CC(NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(c1)C)C
348.13
C16H20N4O3S
10uM
RARB;RARG
RARA
CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C
300.21
C20H28O2
10uM
TYMS
NA
Cc1ccc2c(c1Sc1ccncc1)c(=O)nc([nH]2)N
284.07
C14H12N4OS
10uM
ACVR1
ACVRL1
COc1ccc(cc1)c1cnc2n(c1)ncc2c1cccc2c1cccn2
352.13
C22H16N4O
10uM
NOS3
NOS1
N=C(N[N+](=O)[O-])NCCC[C@@H](C(=O)O)N
219.1
C6H13N5O4
10uM
DNMT1
NA
CSc1nc2c([nH]1)cc(c(c2)Cl)Oc1cccc(c1Cl)Cl
357.95
C14H9Cl3N2OS
10uM
ERBB2
NA
FC(c1ccc(cc1)/C=C/c1occ(n1)COc1ccc(cc1)CCCCn1nncc1)(F)F
468.18
C25H23F3N4O2
10uM
WEE1;WEE2
LCK
C=CCn1c(=O)c2c(n1c1cccc(n1)C(O)(C)C)nc(nc2)Nc1ccc(cc1)N1CCN(CC1)C
500.26
C27H32N8O2
10uM
MME
NA
O=C(CNC(=O)C(Cc1ccccc1)CSC(=O)C)OCc1ccccc1
385.14
C21H23NO4S
10uM
ALK
INSR
CCc1cc2C(=O)c3c4ccc(cc4[nH]c3C(c2cc1N1CCC(CC1)N1CCOCC1)(C)C)C#N
482.27
C30H34N4O2
10uM
CA7
CA12;BLM;CA13;CA4;CA5B;CA5A
CC1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(=O)(=O)N
365.06
C16H16ClN3O3S
10uM
RARG
RARB;RARA
COc1cc(C)c(c(c1C)C)C=CC(=CC=CC(=CC(=O)O)C)C
326.19
C21H26O3
10uM
CLK4
CLK1
OCc1ccc(o1)c1ccc2c(c1)c(ncn2)NCc1ccc(o1)C
335.13
C19H17N3O3
10uM
CFTR
NA
O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C)(C)C
392.21
C24H28N2O3
10uM
TNF
NA
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)c(N)ccc2
273.08
C13H11N3O4
10uM
PTGS1;SC5D
PKM;PTGS2
Cc1cnc(s1)NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C
351.04
C14H13N3O4S2
10uM
EGFR;ERBB2
BRAF;PIK3CA;PI4KB;KRAS;ERBB4
Fc1cccc(c1)COc1ccc(cc1Cl)Nc1ncnc2c1cc(cc2)c1ccc(o1)CNCCS(=O)(=O)C
580.14
C29H26ClFN4O4S
10uM
CEL
NA
OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O
180.06
C6H12O6
10uM
TYR
NA
OC(=O)[C@H](Cn1ccc(=O)c(c1)O)N
198.06
C8H10N2O4
10uM
IDH2
NA
O=C(Nc1cc(ccc1c1ccsc1)S(=O)(=O)NC1CC1)Nc1cccc(c1)C(F)(F)F
481.07
C21H18F3N3O3S2
10uM
TRPM8
TRPA1;TRPV3
C[C@@H]1CC[C@H]([C@@H](C1)O)C(C)C
156.15
C10H20O
10uM
CASP3
NA
C=CCc1cccc(c1O)/C=N/NC(=O)CN1CCN(CC1)Cc1ccccc1
392.22
C23H28N4O2
10uM
NR1H4
NA
CC(OC(=O)C1=CN(CC(c2c1[nH]c1c2cccc1)(C)C)C(=O)c1ccc(c(c1)F)F)C
438.18
C25H24F2N2O3
10uM
HDAC9
HDAC7;HDAC5;HDAC4
O=C(c1cccc(c1)c1noc(n1)C(F)(F)F)NCC1(CCOCC1)c1scc(n1)c1ccccc1
514.13
C25H21F3N4O3S
10uM
MLNR
NA
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@@H]2O[C@@H](C)[C@@H]([C@](C2)(C)OC)O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C[C@H](C(=O)[C@@H]([C@H]([C@]1(C)O)O)C)C)(C)O
733.46
C37H67NO13
10uM
APOA1
NA
OCCOc1c(C)cc(cc1C)c1nc2cc(OC)cc(c2c(=O)[nH]1)OC
370.15
C20H22N2O5
10uM
PPARG
PPARA;PPARD
O=C1NC(=O)C(S1)Cc1ccc(cc1)OCCN(c1ccccn1)C
357.12
C18H19N3O3S
10uM
CA9;CA2
CA12;CA13;CA7;CA6;CA11;CA8;CA10;CA3;CA4;CA5B;CA5A;CA1
Nc1ccc(cc1)S(=O)(=O)N
172.03
C6H8N2O2S
10uM
ENPP3
PDE3A
N#CC(=NNc1ccc(cc1)C1=NNC(=O)C[C@H]1C)C#N
280.11
C14H12N6O
10uM
HDAC3
NA
O=C(Nc1ccc(cc1N)F)/C=C/c1cnn(c1)C/C=C/c1ccccc1
362.15
C21H19FN4O
10uM
NQO1
CYP2C9
O=c1oc2ccccc2c(c1Cc1c(=O)oc2c(c1O)cccc2)O
336.06
C19H12O6
10uM
MTOR
NA
OCc1cc(ccc1OC)c1ccc2c(n1)nc(nc2N1CCOC[C@@H]1C)N1CCOC[C@@H]1C
465.24
C25H31N5O4
10uM
PLA2G2A
PLA2G2D;PLA2G4A;PLA2G10;PLA2G1B;PLA2G2E;PLA2G5
CCc1c(C(=O)C(=O)N)c2c(n1Cc1ccccc1)cccc2OCC(=O)O
380.14
C21H20N2O5
10uM
F2
NA
CCCCCCOC(=O)N=C(c1ccc(cc1)NCc1nc2c(n1C)ccc(c2)C(=O)N(c1ccccn1)CCC(=O)OCC)N
627.32
C34H41N7O5
10uM
IMPDH2
IMPDH1;SMN1
COc1c(C/C=C(/CCC(=O)O)\C)c(O)c2c(c1C)COC2=O
320.13
C17H20O6
10uM
PPARD
LGALS4;PPARG;PPARA
OC(=O)COc1ccc(cc1C)SCc1sc(nc1C)c1ccc(cc1)C(F)(F)F
453.07
C21H18F3NO3S2
10uM
KCNJ11
NA
O=C(NS(=O)(=O)c1ccc(cc1)C)NN1CC2C(C1)CCC2
323.13
C15H21N3O3S
10uM
CYP3A4
NA
Clc1ccc(cc1)OC(C(=O)C(C)(C)C)n1cncc1
292.1
C15H17ClN2O2
10uM
HDAC1
HDAC2;HDAC3;CYP3A4
O=C(OCc1cccnc1)NCc1ccc(cc1)C(=O)Nc1ccccc1N
376.15
C21H20N4O3
10uM
CACNA1C
CACNA1S
COC(=O)C1=C(C)NC(=C(C1c1ccccc1[N+](=O)[O-])C(=O)OCC(C)C)C
388.16
C20H24N2O6
10uM
FLT4;KDR
KIT;FLT1;PDGFRB;DDR1;PDGFRA;STK10;RET;CSF1R;EPHA6;SLK;DDR2;MAP4K5;FGFR3;RIPK2;LYN;LCK;TEK;BLK;PTK6;FGFR1;SRC;FRK;YES1;AXL;HCK;FGFR4;ABL2;TYRO3;FYN;ABL1;LTK;MET;EGFR;FGFR2
COc1cc2c(ncnc2cc1OCCCN1CCCC1)Oc1ccc2c(c1F)cc([nH]2)C
450.21
C25H27FN4O3
10uM
GRM7
NA
Cl.Cl.C(CNC(C1=CC=CC=C1)C1=CC=CC=C1)NC(C1=CC=CC=C1)C1=CC=CC=C1
464.18
C28H30Cl2N2
10uM
TYMP
NA
O=c1[nH]c(CN2CCCC2=N)c(c(=O)[nH]1)Cl
242.06
C9H11ClN4O2
10uM
CHEK2
NA
Clc1ccc(cc1)Oc1ccc(cc1)c1nc2c([nH]1)ccc(c2)C(=O)N
363.08
C20H14ClN3O2
10uM
FLT3;KIT
PDGFRB;PDGFRA;CSF1R;SRC;ABL1;NTRK1;MAP4K5;IRAK3;NTRK2;CLK1;EGFR
COc1cc2c(cc1OCCCN1CCCCC1)ncnc2N1CCN(CC1)C(=O)Nc1ccc(cc1)OC(C)C
562.33
C31H42N6O4
10uM
MAPK8
MAPK10;MAPK9
COC(=O)c1sccc1NC(=O)Cc1cccs1
281.02
C12H11NO3S2
10uM
G6PC
NA
Oc1ccc(cc1)/C=N/N(Cc1ccccc1)Cc1ccccc1
316.16
C21H20N2O
10uM
GRM7
NA
C(NC(c1ccccc1)c1ccccc1)CNC(c1ccccc1)c1ccccc1
392.22
C28H28N2
10uM
EPHB4
NA
OCCCCn1c(cn2c1nc1c2c(=O)[nH]c(=O)n1C)c1ccccc1
353.15
C18H19N5O3
10uM
GABRA5
NA
CSc1sc(c2c1C(=O)CC(C2)(C)C)c1ccn(n1)C(=O)C
334.08
C16H18N2O2S2
10uM
RGS4
NA
O=C1CN(C(=O)N1)/N=C/c1ccc(o1)c1ccc(cc1)[N+](=O)[O-]
314.06
C14H10N4O5
10uM
PIM2
PIM1
CCCOc1ccc(cc1)/C=C/1\SC(=O)NC1=O
263.06
C13H13NO3S
10uM
FLT1;KDR
FLT4;KIT;PDGFRB;RET;EPHB2;EPHB4;ABL1;PDGFRA
COc1cc2c(ccnc2cc1OC)Oc1ccc(c(c1)Cl)NC(=O)Nc1noc(c1)C
454.1
C22H19ClN4O5
10uM
HTR7
BLM;HTR5A
CC1CCN(CC1)CC[C@H]1CCCN1S(=O)(=O)c1cccc(c1)O
352.18
C18H28N2O3S
10uM
LIPA
NA
O=C(N1CCOCC1)Oc1nsnc1N1CCCCC1
298.11
C12H18N4O3S
10uM
NPFFR2
NA
NC(=N)N/N=C/c1ccc(c(c1)Cl)Cl
230.01
C8H8Cl2N4
10uM
KLK7
NA
Fc1ccccc1c1oc(=O)c2c(n1)sc1c2CCCC1
301.06
C16H12FNO2S
10uM
TRPV3
NA
O=C(N1CCCc2c1cccc2)CSc1nc2c(s1)cccc2
340.07
C18H16N2OS2
10uM
RPS6KB1;RPS6KB2
NA
N#Cc1c(SCC(=O)Nc2nnc(s2)CC)nc(nc1SC)N
367.03
C12H13N7OS3
10uM
GRM1
NA
Clc1ccc(cc1)S(=O)(=O)N1CCCC1c1cccs1
327.02
C14H14ClNO2S2
10uM
AVPR1A
AVPR2;OXTR
Cc1[nH]c2c(n1)CCN(c1c2cccc1)C(=O)c1ccc(cc1)NC(=O)c1ccccc1c1ccccc1
498.21
C32H26N4O2
10uM
MMP2
MMP3;MMP9
OC(=O)C(CC(=O)c1ccc(cc1)c1ccc(cc1)Cl)CSc1ccccc1
410.07
C23H19ClO3S
10uM
PRKACA
ROCK2;PRKACG;PRKACB;AKT2;KCNH2
Brc1ccc(cc1)/C=C/CNCCNS(=O)(=O)c1cccc2c1ccnc2
445.05
C20H20BrN3O2S
10uM
BCL2
BCL2L1
Clc1ccc(cc1)C1=C(CCC(C1)(C)C)CN1CCN(CC1)c1ccc(c(c1)Oc1cnc2c(c1)cc[nH]2)C(=O)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])NCC1CCOCC1
867.32
C45H50ClN7O7S
10uM
ALDH1A1
NA
CC(OC(=O)CN1C(=O)C(=O)c2c1c(C)ccc2)C
261.1
C14H15NO4
10uM
KCNQ2
NA
CCCCCC(=O)Nc1c(C)cc(cc1C)Br
297.07
C14H20BrNO
10uM
FFAR3
NA
CC1=C(C(=O)Nc2ccccc2C)C(C2=C(N1)CCCC2=O)c1cccc(c1)[N+](=O)[O-]
417.17
C24H23N3O4
10uM
ADRA2C
NA
CN1CCN(CC1)c1ccc(cc1)Nc1c2ccccc2nc2c1cccc2
368.2
C24H24N4
10uM
SLC2A1
NA
COc1ccccc1N1CCN(CC1)c1ncnc2c1cnn2c1ccccc1
386.19
C22H22N6O
10uM
MGLL
NA
CN1CCN(CC1)C(=S)SSC(=S)N1CCN(CC1)C
350.07
C12H22N4S4
10uM
SLC6A4
SLC6A2;CYP2D6;CHRM3;CHRM4;CHRM1;CHRM5;CHRM2
Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2c(c1)OCO2
329.14
C19H20FNO3
10uM
CA4
CA2
OB(c1ccccc1)O
122.05
C6H7BO2
10uM
FLT1;KDR;KIT
PDGFRB;CSF1R;FLT4;PDGFRA;DDR1;DDR2;STK10;RIPK1;GAK;TTK;FGFR2;TNIK;FGFR1;PLK4;MAP3K9;STK16;LIMK2;STK36;NEK2;MAP2K4;ABL1;BRAF;RIPK2;LCK;TIE1;IRAK3;AURKC;AURKA;LIMK1;RET;MAP4K1;FRK;ROS1;FLT3;LYN;RAF1;MAP3K11;FGFR3
CN(c1ccc2c(c1)nn(c2C)C)c1ccnc(n1)Nc1ccc(c(c1)S(=O)(=O)N)C
437.16
C21H23N7O2S
10uM
KDR
KIT;FLT1;FGFR1;FLT4;CYP3A4;CYP2C19;CYP2D6;CYP2C9;CSF1R;PDGFRB
Clc1ccc(cc1)Nc1nnc(c2c1cccc2)Cc1ccncc1
346.1
C20H15ClN4
10uM
ALDH3A1
NA
Fc1ccc(cc1)S(=O)(=O)n1c(C)nc2c1cccc2
290.05
C14H11FN2O2S
10uM
NPSR1
NA
COc1ccc(cc1OC)CCNC(=O)CC(c1cccc(c1O)C)c1ccccc1
419.21
C26H29NO4
10uM
SFRP1
NA
COC(=O)c1c(NC(=O)CC2SC(=N)NC2=O)sc(c1C)C
341.05
C13H15N3O4S2
10uM
COASY
NA
Clc1ccc(c(c1)C(=O)Nc1ccc(cc1)Cl)NS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
498.96
C19H12Cl3N3O5S
10uM
PDE4B
PDE4A;PDE4D
CC1(C)OCc2c(C1)c1c(nc2N2CCOCC2)sc2c1ncnc2NCc1cccnc1
462.18
C24H26N6O2S
10uM
APP
NA
OC(CN1CCOCC1)COc1c(Br)cc(cc1Br)C(c1cc(Br)c(c(c1)Br)OCC(CN1CCOCC1)O)(C)C
825.95
C29H38Br4N2O6
10uM
TACR1
NA
O=C1NC(CN2[C@H]([C@@H](O[C@@H](C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C)OCC2)C4=CC=C(F)C=C4)=NN1
534.15
C23H21F7N4O3
10uM
DPYD
NA
C#Cc1c[nH]c(=O)[nH]c1=O
136.03
C6H4N2O2
10uM
CHRM3
CHRM5;CHRM1;CHRM4;CHRM2
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(C1)CCc1ccc2c(c1)CCO2
426.23
C28H30N2O2
10uM
CA2;CA12
CA7;CA6;CA13;CA14;CA9;CA4;CA5B;CA5A;CA1
CCN[C@H]1C[C@H](C)S(=O)(=O)c2c1cc(s2)S(=O)(=O)N
324.03
C10H16N2O4S3
10uM
TAS1R1
NA
O=C(c1ccc2c(c1)OCO2)NC1CCCc2c1cccc2
295.12
C18H17NO3
10uM
CDK2
NA
O=C(c1n[nH]c2c1cccc2)Nc1ccc(cc1)N1CCOCC1
322.14
C18H18N4O2
10uM
TNIK
NA
COc1ccc(cc1)C(=O)Nc1sc(nc1C(=O)N)Nc1ccccc1
368.09
C18H16N4O3S
10uM
OXTR
NA
CCOc1ccc(cc1)S(=O)(=O)N(c1ccccc1)CC(=O)N/N=C/1\C(=O)Nc2c1cccc2
478.13
C24H22N4O5S
10uM
GMNN
NA
O=C(Nc1cccc(c1)C(=O)C)CN1CCc2c(C1)cc1c(c2)OCCCO1
380.17
C22H24N2O4
10uM
DUSP3
NA
Clc1ccc(cc1)COc1ccc(cc1)c1nn(cc1/C=C/1\SC(=S)N(C1=O)CCS(=O)(=O)O)c1ccccc1
611.04
C28H22ClN3O5S3
10uM
CXCR3
NA
O=C(N([C@@H](C1=NC2=NC=CC=C2C(N1C3=CC=C(OCC)C=C3)=O)C)CC4=CC=CN=C4)CC5=CC=C(OC(F)(F)F)C=C5
603.21
C32H28F3N5O4
10uM
CYSLTR1
CYSLTR2;NR1I2
COc1cc(ccc1Cc1cn(c2c1cc(cc2)NC(=O)OC1CCCC1)C)C(=O)NS(=O)(=O)c1ccccc1C
575.21
C31H33N3O6S
10uM
DGAT1
NA
OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncn2
396.18
C21H24N4O4
10uM
HTR3A
HTR3B;HTR2B
O=C1N(CCc2c1c1ccccc1n2C)Cc1nc[nH]c1C
294.15
C17H18N4O
10uM
HSD11B1
NA
C1CCn2c(CC1)nnc2C12CC3CC(C2)CC(C1)C3
271.2
C17H25N3
10uM
PDE11A
NA
Oc1cccc(c1)NC(=O)c1cc2n(n1)c(C)cc(n2)c1ccccc1
344.13
C20H16N4O2
10uM
MAP3K9;TNIK
KDR;FLT3;GSK3B;PDGFRA;AURKA
CC(=O)Nc1ccc(cc1)C(=O)Nc1sc(nc1C(=O)N)Nc1ccccc1
395.1
C19H17N5O3S
10uM
ADORA1
NA
CCCC(=O)Nc1nc(cc(n1)c1ccccc1)c1ccccc1
317.15
C20H19N3O
10uM
TSHR
NA
COc1ccccc1c1nnc(s1)NC(=O)C(SC1=NCCS1)C
380.04
C15H16N4O2S3
10uM
CA2;CA7;CA5B
CA13;CA10;CA11;CA8;CA12;CA9;CA6;CA14;CA4;CA5A;CA1;CA3
Clc1cc(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)N
303.92
C6H6Cl2N2O4S2
10uM
PLK1
PLK2;PLK3
O=C(C1=CC=C(C(OC)=C1)NC2=NC=C(N(C3=O)C)C(N([C@@H]3CC)C(C)C)=N2)N[C@H]4CC[C@@H](CC4)N5CCN(CC5)CC6CC6
618.4
C34H50N8O3
10uM
HDAC1;HDAC3;HDAC6
HDAC2;NCOR2;HDAC10;HDAC4;HDAC11;HDAC5;HDAC9;HDAC7;HDAC8
ONC(=O)CCCCCCC(=O)Nc1ccccc1
264.15
C14H20N2O3
10uM
EGFR
AKT2;AKT3;MAPK3;MAPK1;GAK;AKT1;SLK;STK10;ABL2;BLK;LCK;LYN;RET;FLT3;ERBB2;RIPK2;EPHA6;ABL1;TNK1;MKNK1;CIT;ERBB4;AURKC;JAK3;MYLK2;DDR1;EPHA8;TIE1;LTK;KDR;SRC
COCCOc1cc2c(ncnc2cc1OCCOC)Nc1cccc(c1)C#C
393.17
C22H23N3O4
10uM
CTSD
CTSE
CC(C[C@@H]([C@H](CC(=O)N[C@H](C(=O)N[C@H]([C@H](CC(=O)O)O)CC(C)C)C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CC(C)C)C
685.46
C34H63N5O9
10uM
CCR4
NA
Cc1csc(n1)Nc1cccc2c1cccc2
240.07
C14H12N2S
10uM
NR1H3
NA
CC(COC(=O)N(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)C)C
373.11
C15H17F6NO3
10uM
GRIN2C
GRIN2D
COc1cc2c(cc1OC)CCN(C2COc1ccc(cc1)OC)C(=O)c1ccc(cc1)Cl
467.15
C26H26ClNO5
10uM
CA12
CA9
O=C(Nc1cc(C)cc(c1)C)Nc1ccc(cc1)S(=O)(=O)N
319.1
C15H17N3O3S
10uM
F7
NA
COc1ccc(c(c1)c1nc2ccccc2c(=O)o1)Br
330.98
C15H10BrNO3
10uM
FGFR2
NA
COc1c2ccccn2c(c1C)C(=O)c1ccc(c(c1)C(=O)O)N
324.11
C18H16N2O4
10uM
SMYD2
NA
O=C(N(C1CCCCC1)CCNCCC2=C(OCC(N3)=O)C3=C(O)C=C2)CCNCCC4=CC=C(Cl)C(Cl)=C4.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
804.21
C33H40Cl2F6N4O8
10uM
MTNR1A;MTNR1B
NA
CCC(=O)NCC[C@@H]1CCc2c1c1CCOc1cc2
259.16
C16H21NO2
10uM
GANC
MOGS;GAA
O[C@@H]1[C@@H](O)CN2[C@@H]([C@H]1O)[C@@H](O)CC2
189.1
C8H15NO4
10uM
TOP2A
NA
O=C1NC(=O)CN(C1)C[C@@H](N1CC(=O)NC(=O)C1)C
268.12
C11H16N4O4
10uM
CYP4A11
NA
CCCCc1ccc(c(c1)C)N/C=N/O
206.14
C12H18N2O
10uM
RORC
NA
CCn1c2ccc(c3c2c(c1=O)ccc3)S(=O)(=O)Nc1cccc(c1)C(=O)C
394.1
C21H18N2O4S
10uM
GRIN2A
NA
Fc1ccc(cc1)S(=O)(=O)NCc1ccc(cc1)C(=O)NCc1cccnc1
399.1
C20H18FN3O3S
10uM
P2RX7
NA
O=C(C1CC(=O)N(C1)Cc1ccccc1)NCc1ccc(cc1Cl)Cl
376.08
C19H18Cl2N2O2
10uM
TNKS
NA
N#CCOC(=O)c1ccc(cc1)c1cc(=O)c2c(o1)cccc2
305.07
C18H11NO4
10uM
ADRA1A
ADRA1D;ADRA1B
OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N
495.23
C25H32F3N3O4
10uM
CLK1
DYRK1A;CLK3
O=C(C(N1C)=C(/C(C#N)=C\N)C2=C1C(Cl)=C(Cl)C=C2)OCC
337.04
C15H13Cl2N3O2
10uM
THRB
NA
N#CC1=NN(C2=CC(Cl)=C(OC(C=C3C(C)C)=NNC3=O)C(Cl)=C2)C(NC1=O)=O
434.03
C17H12Cl2N6O4
10uM
SRD5A2
BLM;SRD5A1
O=C([C@H]1CC[C@]2([H])[C@]1(C)CC[C@]3([H])[C@@]4(C)C=CC(N[C@]4([H])CC[C@]32[H])=O)NC(C)(C)C
372.28
C23H36N2O2
10uM
RAD51
PARP1
O=C1NN=C2C3=C1C=C(F)C=C3N[C@H](C4=CC=C(F)C=C4)[C@H]2C5=NC=NN5C
380.12
C19H14F2N6O
10uM
ABCB1
NA
FC1([C@H]2[C@@H]1C3=C([C@@H](C4=CC=CC=C42)N5CCN(CC5)C[C@H](COC6=C7C=CC=NC7=CC=C6)O)C=CC=C3)F.Cl.Cl.Cl
635.17
C32H34Cl3F2N3O2
10uM
CALCRL
RAMP1;CALCA
O=C1N(CC2=C(N1)C=CC=C2)C3CCN(C(N[C@@H](C(N[C@H](C(N4CCN(C5=CC=NC=C5)CC4)=O)CCCCN)=O)CC6=CC(Br)=C(C(Br)=C6)O)=O)CC3
867.21
C38H47Br2N9O5
10uM
OPRK1;OPRM1
NA
OC1=C(O[C@H]2C3=O)C([C@]2(CC[N@@+]4(C)CC5CC5)[C@](CC3)(O)[C@H]4C6)=C6C=C1.[Br-]
435.1
C21H26BrNO4
10uM
PTGDR
TBXA2R
O=S(C1=CC(F)=CC2=C1N(C3=C2CC[C@@H]3CC(O)=O)CC4=CC=C(Cl)C=C4)(C)=O
435.07
C21H19ClFNO4S
10uM
NPFFR1
NPFFR2
NC([C@H](CC1=CC=CC=C1)NC([C@H](CCCNC(N)=N)NC(C23C[C@H](C4)C[C@H](C[C@H]4C3)C2)=O)=O)=O
482.3
C26H38N6O3
10uM
CA2
CA7;CA9;CA12;CA5A;CA5B;CA4;CA1
O=S(C1=CC=C(N(CCCC2)S2(=O)=O)C=C1)(N)=O
290.04
C10H14N2O4S2
10uM
VCAM1
CCL2
CC(C)(C)C1=CC(SC(C)(C)SC2=CC(C(C)(C)C)=C(OC(CCC(O)=O)=O)C(C(C)(C)C)=C2)=CC(C(C)(C)C)=C1O
616.33
C35H52O5S2
10uM
CYP11B2
CYP11B1
N#CC1=CC=C([C@H]2CCC3=CN=CN32)C(F)=C1
227.09
C13H10FN3
10uM
NR3C1
NA
O=C(CC)O[C@@]([C@]([C@@]1([H])C2)(C[C@H](O)[C@](F)([C@]3(C=C4)C)[C@@]1([H])C[C@H](F)C3=CC4=O)C)([C@@H]2C)C(SCF)=O
500.18
C25H31F3O5S
10uM
ROCK1;ROCK2
AURKA;PRKACA
CC1=CN=CC2=C1C(S(=O)(N3[C@@H](C)CNCCC3)=O)=CC=C2.[H]Cl.[H]Cl
391.09
C16H23Cl2N3O2S
10uM
GLRA1
NA
O=C1[C@@H](C)[C@]2(O)[C@@]3(C4=O)C(C5([C@@H](O)C(O6)=O)C6O3)([C@H](O4)C[C@H]5C(C)(C)C)C[C@]2([H])O1
408.14
C20H24O9
10uM
KCNJ3;KCNJ5
KCNA5
COC1=C(OC)C=C(CCO[C@H]2[C@H](N3CC[C@@H](O)C3)CCCC2)C=C1.Cl
385.2
C20H32ClNO4
10uM
HTR1D
NA
O=S(CCC1=CC2=C(NC=C2C[C@@H]3N(CCC3)C)C=C1)(C4=CC=CC=C4)=O.Br
462.1
C22H27BrN2O2S
10uM
AHR
NA
C12=C(C=C3)C=C(C=CC=C4)C4=C1C=CC5=CC=CC3=C25
252.09
C20H12
10uM
CACNA1B
NA
O=C(NC(C)(C)C)[C@@H](NC([C@H](CC(C)C)N(C)CC1=CC=C(C(C)(C)C)C=C1)=O)CC2=CC=C(OCC3=CC=CC=C3)C=C2
599.41
C38H53N3O3
10uM
HIF1A
NA
C[C@@]12[C@](C(COC(C)=O)=O)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3(Cl)[C@@H](Cl)C2)=O
454.13
C23H28Cl2O5
10uM
GLA
NA
O[C@H]1[C@@H](CO)NC[C@H](O)[C@H]1O.Cl
199.06
C6H14ClNO4
10uM
ITGAV
ITGB3;ITGB5;ITGA5;ITGB1
O=C(NCC(N[C@H](C(N[C@H](CC1=CC=CC=C1)C(N([C@H]2C(C)C)C)=O)=O)CC(O)=O)=O)[C@H](CCCNC(N)=N)NC2=O
588.3
C27H40N8O7
10uM
DOT1L
NA
NC1=NC=NC2=C1C(Br)=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CN(CCCNC(NC4=CC=C(C(C)(C)C)C=C4)=O)C(C)C)O3
617.23
C28H40BrN7O4
10uM
CYP1B1
NA
O=C1C(O)=C(C2=CC=C(OC)C=C2)OC3=CC(O)=CC(O)=C13
300.06
C16H12O6
10uM
MELK
NA
ClC1=CC(C2=CC=C(N=CC(C(C)=O)=C3N[C@H]4CC[C@H](CN(C)C)CC4)C3=N2)=CC(Cl)=C1O.[H]Cl
522.14
C25H29Cl3N4O2
10uM
CSNK2A1
CSNK2A2;CSNK2A3;DAPK3;CCNB1;CCNB2;CCNB3;DYRK2;TBK1;CLK3;PIM1;HIPK3;CDK1;FLT3
O=C(C1=CC=C2C3=C(C(NC4=CC=CC(Cl)=C4)=NC2=C1)C=CN=C3)O
349.06
C19H12ClN3O2
10uM
CDK9
CCNT1;CDK1;CCNB2;ELOA;ELOB;ELOC;CCNB1;CCNB3;CCND2;CDK4;CCND3;CDK2;CCND1;CCNA2;CDK5;CCNA1;CDK6;CCNE2;ABCG2;CCNE1;CDK7;PRKCQ;PYGM
O=C1C2=C(C=C(C([C@]3([H])[C@H](O)CN(C)CC3)=C2OC(C4=CC=CC=C4Cl)=C1)O)O
401.1
C21H20ClNO5
10uM
NOS2
NA
N[C@@H](CCCCNC(C)=N)C(O)=O
187.13
C8H17N3O2
10uM
TAAR1
NA
NCCC1=C(C=CC=C1Cl)Cl
189.01
C8H9Cl2N
10uM
CAPN1
NA
O=C([C@@H](N)C(C)C)N[C@H](C(O)=O)CC1=CC=CC=C1
264.15
C14H20N2O3
10uM
PGR
ALPP;ALPL;ALPI;NR3C1;TAT;AR;NR3C2;CYP3A4;ESR1
C[C@@]12[C@@](C#CC)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CCC4=C3[C@@H](C5=CC=C(N(C)C)C=C5)C2)=O
429.27
C29H35NO2
10uM
MAPK9
NA
C1(C2=CC=CC(OCCN3CCCCC3)=C2)=NNC4=C1C=C(C=C4)C5=NC=NN5.Cl
424.18
C22H25ClN6O
10uM
HCRTR2
NA
CC(C)(C)[C@H](NCC1=CC=NC=C1)C(N2CC3=C(C=C(OC)C(OC)=C3)CC2)=O
397.24
C23H31N3O3
10uM
ESR1;ESR2
ESRRG
OC1=CC=C(/C(CC)=C(CC)/C2=CC=C(O)C=C2)C=C1
268.15
C18H20O2
10uM
ADRA1D
NA
CC1=CC=CC=C1N2CCN(CCC3=NN=C4CCCCN43)CC2.[H]Cl
361.2
C19H28ClN5
10uM
CYP1A2
NA
O[C@@H]1[C@H](C)[C@]2([H])CC[C@@H](C)[C@]3([H])CC[C@@](O4)(C)OO[C@]32[C@]4([H])O1
284.16
C15H24O5
10uM
HRH2
NA
O=C(NCCCOC1=CC=CC(CN2CCCCC2)=C1)COC(C)=O.Cl
384.18
C19H29ClN2O4
10uM
CCR2
NA
O=C(NCC(N[C@H]1CN(CC2=CC=C(Cl)C=C2)CC1)=O)C3=CC=CC(C(F)(F)F)=C3
439.13
C21H21ClF3N3O2
10uM
SLC29A1
NA
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=C(N)N=C3SCC4=CC=C([N+]([O-])=O)C=C4)O1)O)O
434.1
C17H18N6O6S
10uM
PRKCA
NA
O=C(NC1=CC=C(N(C)[C@@H](C(C)C)C(N[C@H](CO)C2)=O)C2=C1)/C=C/C=C/C3=CC=C(C(F)(F)F)C=C3
501.22
C27H30F3N3O3
10uM
MBTPS1
NA
O=C(N(CCC1=CC=CC=C1OC)[C@H]2CNCC2)C3=CC=C(CN(CC)CC)C=C3.[H]Cl.[H]Cl
481.23
C25H37Cl2N3O2
10uM
GABRA1
GABRA2;GABRA3
O=C(N1CCN(C)CC1)O[C@@H]2N(C3=NC=C(Cl)C=C3)C(C4=NC=CN=C42)=O
388.1
C17H17ClN6O3
10uM
JAK2
JAK3;ABL1;JAK1;TYK2
FC1=C(CN2CCOCC2)C(F)=CC(C3=C4N=C(C5=CN(C6CCNCC6)N=C5)C=NC4=CC=C3)=C1.Cl.Cl
562.18
C27H30Cl2F2N6O
10uM
HRH1
NA
O=C(O)CC1=CC=C(C/2=C1)OCC3=CC=CC=C3C2=C\CCN(C)C.Cl
373.14
C21H24ClNO3
10uM
TRPC6
NA
N[C@@H](C1)CCCN1[C@@H]2CC3=CC=CC=C3[C@H]2OC4=C(Cl)C=C(C#N)C=C4
367.14
C21H22ClN3O
10uM
SYK
GSK3B;ROCK2;FLT3;PKN2;BRAF;PIM2;KIT
O=C(N)C1=CC=CN=C1NC2=NC(C3=CC=C(C(OC)=C3)OC)=CC4=NC=CN24.[H]Cl.[H]Cl
462.1
C20H20Cl2N6O3
10uM
CXCR4
NA
[H]Cl.[H]Cl.NCCCCN(CC1=NC2=CC=CC=C2N1)[C@@H]3C4=NC=CC=C4CCC3.[H]Cl
457.16
C21H30Cl3N5
10uM
APLNR
NA
O=C([C@@H](N1)CCC1=O)C[C@@H](CCCNC(N)=N)C(N2[C@@H](CCC2)C(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC(C)C)C(N[C@@H](CO)C(N[C@H](C(N[C@@H](CCCCN)C(NCC(N3[C@@H](CCC3)C(N[C@@H](CCSC)C(N4[C@@H](CCC4)C(N[C@H](C(O)=O)CC5=CC=CC=C5)=O)=O)=O)=O)=O)=O)CC6=CNC=N6)=O)=O)=O)=O)=O
1531.81
C70H109N21O16S
10uM
GRPR
NA
1618.82
C71H110N24O18S
10uM
CAPN2
NA
O=C(O)C1=CC=C(OC)C=C1
152.05
C8H8O3
10uM
GPBAR1
NA
C[C@H](CCC(O)=O)[C@H]1CC[C@@]2([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
392.29
C24H40O4
10uM
DPP7
NA
O=C(N1CCCCC1)[C@@H](N)CCNCC2=CC=C(Cl)C=C2.[H]Cl.[H]Cl
381.11
C16H26Cl3N3O
10uM
PARP1;PARP2
PARP3
O=C(C1=CC(CC(C2=C3C=CC=C2)=NNC3=O)=CC=C1F)N4CCN(C(C5CC5)=O)CC4
434.18
C24H23FN4O3
10uM
ADH5
NA
OC(CCC1=CC=C(N1C2=CC=C(C(N)=O)C=C2C)C(C=C3)=CC=C3N4C=CN=C4)=O
414.17
C24H22N4O3
10uM
ADRB2
NA
O=C1NC2=CC(O)=CC([C@@H](O)CNC(C)(C)CC3=CC=C(OC)C=C3)=C2OC1
386.18
C21H26N2O5
10uM
NR3C2
NA
O=C(CC1)O[C@@]21CC[C@@]3([H])[C@]4([H])[C@H](C(OC)=O)CC5=CC(CC[C@]5(C)[C@@]46[C@H](O6)C[C@@]32C)=O
414.2
C24H30O6
10uM
VDR
NA
C[C@]([C@]([C@H](C)/C=C/[C@H](C)C(C)(C)O)([H])CC1)(CCC/2)[C@]1([H])C2=C\C=C3C[C@@H](O)C[C@H](O)C/3
416.33
C27H44O3
10uM
PTGIR
NA
OC(COC1=CC=CC2=C1C[C@](C[C@@H](O)[C@@H]3CC[C@@H](O)CCCCC)([H])[C@]3([H])C2)=O
390.24
C23H34O5
10uM
PI4KB
NA
CC1=NC2=C(C3=CC=C(OC)C(OC)=C3)C(C)=NN2C(NCCN4CCOCC4)=C1
411.23
C22H29N5O3
10uM
THRA;THRB
NA
OC1=C(I)C=C(OC2=C(I)C=C(C[C@H](N)C(O)=O)C=C2I)C=C1
650.79
C15H12I3NO4
10uM
PRKCB
PIM3;PRKCH;PIM1;FLT3;MAPK15;PIM2;PRKCD;RPS6KB1;CDK4;DMPK;PRKCG;MYLK;PRKCA;PRKCZ;RPS6KA2;STK10;PRKCQ;PRKCI;NUAK2;PRKCE;SLK;CLK2;PKN1;RPS6KA1;BMP2K;CHEK1;RIOK1;JAK3;PIP4K2B;PIP5K1A;LATS2;PDPK1;MAP2K4;DAPK1;STK3;CLK1;AAK1;PRKD2;KIT
O=C1NC(C(C2=CN(C3=CC=CC=C32)CCO[C@H](CN(C)C)CC4)=C1C5=CN4C6=CC=CC=C56)=O.[H]Cl
504.19
C28H29ClN4O3
10uM
BDKRB2
ANPEP
[H][C@]1(C[C@@H](C(N[C@H](C(O)=O)CCCNC(N)=N)=O)N2C([C@@H]3N(C([C@H](CO)NC([C@H](CC4=CC=CS4)NC(CNC([C@@H]5C[C@@H](O)CN5C([C@H]6N(C([C@H](CCCNC(N)=N)NC([C@H](N)CCCNC(N)=N)=O)=O)CCC6)=O)=O)=O)=O)=O)CC7=C(C=CC=C7)C3)=O)[C@]2([H])CCCC1
1303.66
C59H89N19O13S
10uM
OGA
NA
O[C@H]1[C@H](O)[C@@]2([H])N=C(NCC)S[C@@]2([H])O[C@@H]1CO
248.08
C9H16N2O4S
10uM
BCL2L1
NA
COC1=CC(C2=CC3=C(C=CC=C3)N2)=N/C1=C\C4=C(C=C(N4)C)C.CS(=O)(O)=O
413.14
C21H23N3O4S
10uM
PTGFR
NA
O=C(OC(C)C)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(F)(F)COC2=CC=CC=C2)[C@H](O)C[C@@H]1O
452.24
C25H34F2O5
10uM
CA2;CA7
CA8;CA11;CA10;CA5B;CA4;CA13;CA14;HIF1A;CA12;CA5A;CA9;CA6
O=S(C1=NC2=CC=C(OCC)C=C2S1)(N)=O
258.01
C9H10N2O3S2
10uM
NFE2L2
NA
O=S(CCCCN=C=S)C
177.03
C6H11NOS2
10uM
TACR2
NA
O=C(N[C@@H](C(C)C)C(NCC(N[C@@H](CC(C)C)C(N[C@H](C(N)=O)CCSC)=O)=O)=O)[C@@H](NC([C@H](CO)NC([C@H](CC(O)=O)NC([C@@]([C@H](O)C)([H])NC([C@H](CCCCN)NC([C@@H](N)CC1=CN=CN1)=O)=O)=O)=O)=O)CC2=CC=CC=C2
1132.57
C50H80N14O14S
10uM
PDE10A
PDE3A;PDE4B
COC1=CC2=C(C=C1OC)C=CN=C2CC3=CC=C(OC)C(OC)=C3
339.15
C20H21NO4
10uM
CCR5
NA
O=C(C1CCC(F)(F)CC1)N[C@H](C2=CC=CC=C2)CCN3[C@H]4C[C@@H](N5C(C)=NN=C5C(C)C)C[C@@H]3CC4
513.33
C29H41F2N5O
10uM
FNTA
FNTB
CSCC[C@@H](C(OC)=O)NC(C1=CC=C(NC[C@@H](N)CS)C=C1C2=CC=CC=C2)=O.[H]Cl
483.14
C22H30ClN3O3S2
10uM
CRHR1
NA
CCCN(C1=CC(C)=NC2=C(C3=CN=C(N(C)C)C=C3C)C(C)=NN21)CCC
380.27
C22H32N6
10uM
RYR2
NA
COC1=CC=C2C(CN(C)CCS2)=C1
209.09
C11H15NOS
10uM
MMP9
NA
OC1=C(C(N)=O)C([C@@]2(O)C(O)=C3C(C4=C(O)C=CC(N(C)C)=C4C[C@@]3([H])C[C@@]2([H])[C@@H]1N(C)C)=O)=O.Cl
493.16
C23H28ClN3O7
10uM
PDE2A
NA
O=C1N=C(NN2C1=C(N=C2[C@@H](CCCC3=CC=CC=C3)[C@@H](C)O)C)CC4=CC=C(C(OC)=C4)OC
476.24
C27H32N4O4
10uM
FPR1
NA
O=C(O)[C@H](CC1=CC=CC=C1)NC([C@H](CC(C)C)NC([C@H](CCSC)NC=O)=O)=O
437.2
C21H31N3O5S
10uM
CYBB
CPT2;CPT1A
O=C(O)/C=C\C(O)=O.C1(CC(C2CCCCC2)C3CCCCC3)NCCCC1
393.29
C23H39NO4
10uM
ACE
NA
O=C(O)[C@H]1N(C([C@H](C)CSC(C2=CC=CC=C2)=O)=O)C[C@@H](SC3=CC=CC=C3)C1
429.11
C22H23NO4S2
10uM
P2RY2
P2RY14;P2RY4
O[C@H]1[C@H](N2C(NC(C=C2)=O)=O)O[C@H](COP(OP(OP(O)(O)=O)(O)=O)(O)=O)[C@H]1O
483.97
C9H15N2O15P3
10uM
NISCH
NA
CC1=NC(OC)=C(NC2=NCCN2)C(Cl)=N1
241.07
C9H12ClN5O
10uM
SRC
YES1;LCK;FYN;HCK;BCR;ABL1;CSK
ClC1=CC=C2C(OCO2)=C1NC3=C4C(OC5CCOCC5)=CC(OCCN6CCN(C)CC6)=CC4=NC=N3
541.21
C27H32ClN5O5
10uM
BCHE
ACHE
O=C(N(C)CC)OC1=CC=CC([C@H](C)N(C)C)=C1
250.17
C14H22N2O2
10uM
EZH2
EZH1
O=C(C1=CC(C2=CC=C(CN3CCOCC3)C=C2)=CC(N(CC)C4CCOCC4)=C1C)NCC5=C(C)C=C(C)NC5=O
572.34
C34H44N4O4
10uM
TLR7
NA
NC1=NC2=CC=CC=C2C3=C1N=CN3CC(C)C
240.14
C14H16N4
10uM
CYP3A4
NA
O=C(O[C@@H]1[C@@]2([H])[C@@](OCC2)([H])OC1)N[C@@H](CC3=CC=CC=C3)[C@H](O)CN(S(=O)(C4=CC=C(N)C=C4)=O)CC(C)C
547.24
C27H37N3O7S
10uM
AVPR2
AVPR1A
O=C(C1=C(Cl)C=C(NC(C2=CC(F)=CC=C2C)=O)C=C1)N(C3)C4=CC=CC=C4CN5C3=CC=C5
473.13
C27H21ClFN3O2
10uM
PLK1
PLK2;PLK3;MET;ALK;EGFR
O=C1[C@H](N(C2=C(N1C)C=NC(NC3=CC=C(C(NC4CCN(C)CC4)=O)C=C3OC)=N2)C5CCCC5)CC
521.31
C28H39N7O3
10uM
DRD3
DRD2;DRD4
NC(S1)=NC2=C1C[C@@H](NCCC)CC2.[H]Cl.[H]Cl
283.07
C10H19Cl2N3S
10uM
RAF1
BRAF
OC1=CC(C2=C(C3=CC=NC=C3)N=C(C4=CC=CC=C4)N2)=CC=C1Cl
347.08
C20H14ClN3O
10uM
JAK2
NA
O=C(C1=CC2=C(N(C)C=N3)C3=C(NC4=NN(C)C(C)=C4)N=C2N1CC)N(C5CC5)C6CC6
432.24
C23H28N8O
10uM
PTK2
MAPK10;INSR;ROS1;ALK;JAK3;IGF1R;EGFR;MAPK9;AURKA;ERBB4;ERBB2;PLK1;RET;KDR;RPS6KA3;MET;BTK;FGFR1;PDGFRB;JAK2;CDK1;FGFR3;FLT3
O=C(C1=C(C=CC=C1)NC2=NC(NC3=C(C=C(C=C3)N4CCOCC4)OC)=NC=C2Cl)NC
468.17
C23H25ClN6O3
10uM
DOT1L
NA
NC1=NC=NC2=C1N=CN2[C@H]3[C@H](O)[C@H](O)[C@@H](CN([C@@H]4C[C@H](CCC5=NC6=C(C=CC(C(C)(C)C)=C6)N5)C4)C(C)C)O3
562.34
C30H42N8O3
10uM
CETP
NA
O=C1O[C@@H]([C@@H](N1CC2=CC(C(F)(F)F)=CC=C2C3=CC(C(C)C)=C(C=C3OC)F)C)C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4
637.17
C30H25F10NO3
10uM
TACR3
NA
O=C(C1=C(C)C(C2=CC=CC=C2)=NC3=CC=CC=C13)N[C@H](C4=CC=CC=C4)CC
380.19
C26H24N2O
10uM
RARB
RARG;RARA
O=C(C1=CC=C(C#CC2=CC=C3C(C(C)(C)CCS3)=C2)N=C1)OCC
351.13
C21H21NO2S
10uM
RXRB
RXRA;RXRG;RARG;RARA;RARB
CC1(C2=C(C(C)(CC1)C)C=C(C(C(C3=CC=C(C=C3)C(O)=O)=C)=C2)C)C
348.21
C24H28O2
10uM
SCN10A
NA
O=C(N1C2=CC=CC=C2C=CC3=CC=CC=C31)N
236.1
C15H12N2O
10uM
AURKB
AURKA;AURKC;KIT
O=C(NC1=CC=CC(F)=C1)CC2=CC(NC3=C4C=CC(OCCCN(CC)CCOP(O)(O)=O)=CC4=NC=N3)=NN2
587.21
C26H31FN7O6P
10uM
GSK3B
NA
O=C(C(C1=CN2CCN(C(N3CCCCC3)=O)CC4=CC(F)=CC1=C42)=C5C6=CN=C7C=CC=CN76)NC5=O
512.2
C28H25FN6O3
10uM
EDNRB
EDNRA
BrC1=CN=C(OCCOC2=C(C3=CC=C(Br)C=C3)C(NS(NCCC)(=O)=O)=NC=N2)N=C1
585.96
C19H20Br2N6O4S
10uM
MIF
NA
O=C(OC)CC1ON=C(C(C=C2)=CC=C2O)C1
235.08
C12H13NO4
10uM
LIPG
NA
O=C(O)C1=CC(C(F)(F)F)=CC=C1N2C[C@@H](OCC3=NC=CC=C3)CC2
366.12
C18H17F3N2O3
10uM
ADRA2A
NA
O=C(NC(N)=N)CC1=C(Cl)C=CC=C1Cl.[H]Cl
280.99
C9H10Cl3N3O
10uM
TXNRD1
NA
CCC(SSC1=NC=CN1)C
188.04
C7H12N2S2
10uM
RARB
RARG;RARA
O=C(C1=CC=C(C#CC2=CC=C3C(C(C)(C)CCS3)=C2)N=C1)OCC
351.13
C21H21NO2S
10uM
HDAC1
HDAC8
O=C(C1=CN=C(N2CCC(CNCC3=CN(C)C4=C3C=CC=C4)CC2)N=C1)NO
394.21
C21H26N6O2
10uM
TGFBR1
TGFB1
FC1=CC=C(Cl)C=C1C2=NC3=NC=CN=C3C(NC4=CC=NC=C4)=N2
352.06
C17H10ClFN6
10uM
PARP1
NA
O=C(NC(C=C1C2=C3C=CC=C2)=CC=C1NC3=O)CN(C)C.Cl
331.11
C17H18ClN3O2
10uM
DPP4
NA
O=C(N1CC2=NN=C(C(F)(F)F)N2CC1)C[C@H](N)CC3=CC(F)=C(F)C=C3F
407.12
C16H15F6N5O
10uM
MAP2K1
EIF2AK3
BrC1=CC=C(C(F)=C1)NC2=C(C3=C(C=C2C(NOCCO)=O)N(C=N3)C)F
440.03
C17H15BrF2N4O3
10uM
MAPK14
MAPK9;MAPK11;DDR2;TEK;DDR1;MAPK12;STK10;TIE1;MAPK13;TNF;RET;MAP4K4;MAPK10;TNIK;SLK;CDK8;EPHA4;NTRK3;EPHA8;CDK19;EPHB2;NTRK2;EPHA7;BLK;EPHA3;PTK2B;FLT1;KIT;NTRK1;RAF1;CDC42BPB;NLK;MAP3K20;ANKK1;KDR;EPHB4;ABL1
O=C(NC1=CC(C(C)(C)C)=NN1C2=CC=C(C)C=C2)NC3=C4C=CC=CC4=C(OCCN5CCOCC5)C=C3
527.29
C31H37N5O3
10uM
P2RY6
NA
S=C(NCCCCNC(NC1=CC(N=C=S)=CC=C1)=S)NC2=CC(N=C=S)=CC=C2
472.06
C20H20N6S4
10uM
SLC6A4
SLC6A2
OC1=CC=C(C(C2(O)CCCCC2)CN(C)C)C=C1.O=C(O)CCC(O)=O.O
399.23
C20H33NO7
10uM
PDPK1
PDK1
O=C(C1=CC=CN(CC2=CC=C(F)C(F)=C2)C1=O)N[C@H](C3=CC=CC=C3)COC4=CC=C(N5)C(NC5=O)=C4
516.16
C28H22F2N4O4
10uM
DGAT1
NA
O=C(NC1=CC=C(C2=CC=C(C([C@@H]3CCC[C@H]3C(O)=O)=O)C=C2)C=C1)NC4=CC=CC=C4
428.17
C26H24N2O4
10uM
JAK1;JAK2
JAK3;TYK2
N#CCC1(N2N=CC(C3=C4C(NC=C4)=NC=N3)=C2)CN(S(=O)(CC)=O)C1
371.12
C16H17N7O2S
10uM
EPHB4
RAF1
CC1=CC=C(C=C1NC2=NC(C3=CC=CN=C3)=NC4=C2C=NN4C)C(NC5=CC=CC(C(F)(F)F)=C5)=O
503.17
C26H20F3N7O
10uM
MERTK
NA
CCCCNC1=NC(N[C@H]2CC[C@@H](O)CC2)=C(C(NCC3=CC=C(N4C=NC=C4)C=C3)=O)C=N1
463.27
C25H33N7O2
10uM
AGTR1
NA
O=C(C1=C2C(N=C(OCC)N2CC3=CC=C(C4=CC=CC=C4C(N5)=NOC5=O)C=C3)=CC=C1)O
456.14
C25H20N4O5
10uM
ATR
NA
NC1=NC=C(C2=CC=C(S(=O)(C(C)C)=O)C=C2)N=C1C3=CC(C4=CC=C(CNC)C=C4)=NO3
463.17
C24H25N5O3S
10uM
CXCR3
NA
O=C(N([C@@H](C1=NC2=NC=CC=C2C(N1C3=CC=C(OCC)C=C3)=O)C)CC4=CC=CN=C4)CC5=CC=C(F)C(C(F)(F)F)=C5
605.2
C32H27F4N5O3
10uM
CSF1R
KIT;AXL;NTRK1;FLT3
CN(CC1)CCN1C2=CC=C(NC(C3=CC(C#N)=CN3)=O)C(N4CCC(C)CC4)=C2
406.25
C23H30N6O
10uM
AVPR1A
OXTR
O=C([C@H](CSSCCC(N[C@@H](C1=O)CC2=CC=C(OCC)C=C2)=O)NC([C@@H](NC(C(NC([C@](N1)([H])[C@@H](C)CC)=O)[C@H](O)C)=O)CC(N)=O)=O)N(CCC3)[C@@H]3C(N[C@@H](CCCN)C(NCC(N)=O)=O)=O
993.44
C43H67N11O12S2
10uM
BCL2L1
BCL2;BCL2L2;BAD;MCL1
CN(CC[C@@H](NC1=CC=C(C=C1[N+]([O-])=O)S(NC(C2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4C5=CC=C(C=C5)Cl)=O)(=O)=O)CSC6=CC=CC=C6)C
812.26
C42H45ClN6O5S2
10uM
PIK3CG
CSNK2A1;CSNK2B;PIK3CA;PIK3CB;PIK3CD
O=C(NC/1=O)SC1=C/C2=CC=C3N=CC=NC3=C2
257.03
C12H7N3O2S
10uM
LRRK2
NA
FC(C1=CN=C(NC2=C(Cl)N([C@@H]3[C@@H](F)CN(C4COC4)CC3)N=C2)N=C1NC)(F)F
449.14
C17H20ClF4N7O
10uM
GPR119
NA
CCC1=CN=C(N2CCC(C3=NC(COC4=CC=C(N5N=NN=C5)C=C4)=CS3)CC2)N=C1
448.18
C22H24N8OS
10uM
TNKS
NA
O=C1C=C(C2=CC=C(C(C)C)C=C2)OC3=CC=CC=C13
264.12
C18H16O2
10uM
IGF1R
INSR;CYP3A4
O=C1C(C2=NC3=CC(N4CCOCC4)=CC(C)=C3N2)=C(C=CN1)NC[C@@H](O)C5=CC=CC(Cl)=C5
479.17
C25H26ClN5O3
10uM
CYSLTR1
CYSLTR2;CYP2C8
ClC1=CC2=C(C=C1)C=CC(/C=C/C3=CC([C@H](SCC4(CC([O-])=O)CC4)CCC5=CC=CC=C5C(C)(O)C)=CC=C3)=N2.[Na+]
607.19
C35H35ClNNaO3S
10uM
HDAC8
NA
COC(C=C1)=CC=C1CN2C3=CC(C(NO)=O)=CC=C3C=C2
296.12
C17H16N2O3
10uM
CHRM4
NA
CC1=C2C(SC(C(NCC3=CC=C(OC)C=C3)=O)=C2N)=NC(C)=C1
341.12
C18H19N3O2S
10uM
HTR3A
HTR3B
O=C1N(C[C@@]([H])(CCC2)C3=C2C=CC=C13)[C@@H]4CN5CCC4CC5.[H]Cl
332.17
C19H25ClN2O
10uM
PTGS1
PTGER2;PTGS2;TBXAS1;PTGES;PTGDR2;SC5D;PPARG;GLO1
COC1=CC=C(N(C(C2=CC=C(Cl)C=C2)=O)C(C)=C3CC(O)=O)C3=C1
357.08
C19H16ClNO4
10uM
NTRK1
NA
O=C1/C(C2=NC=CC=C2N1)=C\C3=CN(C)C4=C3C=CC=C4
275.11
C17H13N3O
10uM
SIRT1
NA
O=C(C1C(NC2=C3C=C(Cl)C=C2)=C3CCC1)N
248.07
C13H13ClN2O
10uM
FLT3
KIT;PKN1;JAK3;PKN2;MAP3K9;MAP3K11;STK4;TBK1;CAMK2A;MARK3;MAP3K19;CAMK2D;NUAK1;SRPK1;EIF2AK4;AAK1;PRKCB;GRK7;AURKB;PLK4;NUAK2;CAMKK2;PRKG2;TNK1;JAK2;RET;PRKCG;SYK;MARK2;MAP4K3;PDGFRB;STK3;AURKA;TNK2;CAMKK1;PDPK1;MAP3K7;IRAK3;CAMK2G;AURKC;PRKAA1;MARK1;IKBKE;CSF1R;PRKACB;CAMK2B;PRKCA;PAK3;PRKCH;BMP2K;SLK;MELK;PRKCD;RPS6KA5;RPS6KA4;STK16;PIP4K2B;PIP5K1A;TYK2;CSNK2A1;PRKG1;CLK1;CLK4;MARK4;ALK;DYRK1B;SRPK2;TTK;GAK;STK11;SIK2;ROS1;NTRK2;PHKG1
O=C(C1=CC=CC=C1)N(C)[C@H]2[C@@H](OC)[C@@]3(C)N(C4=C5C=CC=C4)C6=C5C7=C(C(NC7)=O)C8=C6N(C9=CC=CC=C98)[C@@](O3)([H])C2
570.23
C35H30N4O4
10uM
EIF2AK3
NA
CC1=CC=CC(CC(N2CCC3=C2C=CC(C4=CN(C)C5=NC=NC(N)=C54)=C3F)=O)=N1
416.18
C23H21FN6O
10uM
FYN;LCK
HCK;SIK2;CSNK1D;PDGFRB;PDGFRA;KDR;EPHB4;BTK;EPHB3;SRC;EGFR;ABL1
NC1=C2C(N(C(C)(C)C)N=C2C3=CC=C(Cl)C=C3)=NC=N1
301.11
C15H16ClN5
10uM
ROCK2
ROCK1
O=C(C1=CC=C([C@@H](C)N)C=C1)NC2=C3C(NC=C3)=NC=C2.[H]Cl.[H]Cl
352.09
C16H18Cl2N4O
10uM
BRD4
BRD2;BRD3
O=C(C[C@H]1C2=NN=C(N2C3=C(C(C4=CC=C(C=C4)Cl)=N1)C(C)=C(S3)C)C)OC(C)(C)C
456.14
C23H25ClN4O2S
10uM
HDAC3
HDAC1
O=C(NCCCCCC(NC1=CC=CC=C1N)=O)C2=CC=C(C)C=C2
339.2
C20H25N3O2
10uM
MAPK9
MAPK8;MAPK10;TTK;LRRK2;MAP2K4
O=C1C2=C3C(NN=C3C4=C1C=CC=C4)=CC=C2
220.06
C14H8N2O
10uM
TTK
AURKA;ADORA3;AURKB
C1(NC2=CC=C(N3CCOCC3)C=C2)=NC(NC4CCCCC4)=C5C(NC=N5)=N1
393.23
C21H27N7O
10uM
NR1I2
NA
OC(C(/C=N/N1CCN(C)CC1)=C(NC(/C(C)=C\C=C\[C@@H]([C@@H]([C@@H](C)[C@H]2O)O)C)=O)C(O)=C3C(O)=C4C)=C3C5=C4O[C@](C)(O/C=C/[C@@H]([C@H]([C@@]([C@@H]2C)([H])OC(C)=O)C)OC)C5=O
822.4
C43H58N4O12
10uM
CDK1
CCNB1;CDK2
O=C1N=C(NCC2=CC=CS2)S/C1=C\C3=CC=C4N=CC=CC4=C3
351.05
C18H13N3OS2
10uM
SYK
ZAP70;PRKCA;YES1;FLT3;BLNK;LYN
NC(C1=CN=C(N[C@H]2[C@@H](N)CCCC2)N=C1NC3=CC=CC(N4N=CC=N4)=C3)=O.[H]Cl
429.18
C19H24ClN9O
10uM
CA2;CA7
CA12;CA6;CA13;CA9;CA4;CA14;CA5B;CA5A;CA1;CA3
CC(/N=C1SC(S(=O)(N)=O)=NN/1C)=O
236
C5H8N4O3S2
10uM
CNR1
CYP2D6;CYP2C9;CNR2
ClC1=CC=C(C[C@@H](C2=CC=CC(C#N)=C2)[C@@H](NC(C(C)(OC3=CC=C(C=N3)C(F)(F)F)C)=O)C)C=C1
515.16
C27H25ClF3N3O2
10uM
CTSK
NA
N#CC1(NC([C@@H](N[C@H](C(F)(F)F)C2=CC=C(C3=CC=C(S(=O)(C)=O)C=C3)C=C2)CC(C)(F)C)=O)CC1
525.17
C25H27F4N3O3S
10uM
FKBP1A
PPP3CA;MTOR;SF3B3;CYP3A4
O=C([C@@](CCCC1)([H])N1C(C([C@@]2(O)[C@H](C)C[C@H](OC)[C@@](O2)([H])[C@@H](OC)C[C@@H](C)C/C(C)=C/[C@H]3CC=C)=O)=O)O[C@H](/C(C)=C/[C@H]4C[C@@H](OC)[C@H](O)CC4)[C@H](C)[C@@H](O)CC3=O
803.48
C44H69NO12
10uM
HTR1D
HTR1B;HTR4;HTR1F;HTR1A
O=C(O)CCC(O)=O.O=S(CC1=CC2=C(NC=C2CCN(C)C)C=C1)(NC)=O
413.16
C18H27N3O6S
10uM
ALOX5AP
ALOX5
O=C(O)C(C)(C)CC1=C(SC(C)(C)C)C2=C(C=CC(OCC3=NC4=CC=CC=C4C=C3)=C2)N1CC5=CC=C(Cl)C=C5
586.21
C34H35ClN2O3S
10uM
CALCRL
CALCA;RAMP1;CALCB
O=C1C2(NC[C@@H](C3=CC(F)=CC(F)=C3)N1CC(NC4=CC5=C(C[C@@]6(C(NC7=C6C=CC=N7)=O)C5)C=C4)=O)CCCC2.Cl
593.2
C31H30ClF2N5O3
10uM
ADORA1
NA
OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3=C2N=CN=C3N[C@@H]4[C@@H](O)CCC4)O1)O)O
351.15
C15H21N5O5
10uM
CYP19A1
NA
C[C@]1([C@](CC2)([H])[C@]3([H])CCC4=C(O)C(CC[C@]4(C)[C@@]3([H])CC1)=O)C2=O
302.19
C19H26O3
10uM
NFKB1
NA
NC1=CC2=C(NCCC3=CC=C(OC4=CC=CC=C4)C=C3)N=CN=C2C=C1
356.16
C22H20N4O
10uM
NR3C1
NFE2L2
C[C@@]12[C@](C[C@H](C)[C@]2(O)C(CO)=O)([H])[C@]3([H])CCC4=CC(C=C[C@]4(C)[C@@]3(F)[C@@H](O)C1)=O
392.2
C22H29FO5
10uM
PDE9A
NA
O=C1NC([C@H]2[C@@H](CN(C2)CC3=CC=CC=C3)C)=NC4=C1C=NN4C5CCOCC5
393.22
C22H27N5O2
10uM
PRKDC
PIK3CB;PIK3CD;PIK3CG;PIK3CA
O=C1C=C(N2CCOCC2)OC3=C1C=CC=C3C4=CC=CC5=C4SC6=C5C=CC=C6
413.11
C25H19NO3S
10uM
PDGFRB
NA
O=C(NCCN1CCCC1)C2=C(NC(/C=C3C(NC4=C\3C=C(C=C4)F)=O)=C2C)C
396.2
C22H25FN4O2
10uM
ADORA3
HIF1A;ADORA1;ADORA2A
O[C@H]([C@@H]1O)[C@@H](O[C@@H]1C(NC)=O)N2C3=NC(Cl)=NC(NCC4=CC(I)=CC=C4)=C3N=C2
544.01
C18H18ClIN6O4
10uM
SSTR2
SSTR5;SSTR1;SSTR4;OPRM1;SSTR3
NC(C(NC(C(NC(C(NC(CC1=CNC2=C1C=CC=C2)C3=O)=O)CC4=CC=CC=C4)=O)CSSCC(C(NC(CO)C(O)C)=O)NC(C(NC(C(CCCCN)N3)=O)C(O)C)=O)=O)CC5=CC=CC=C5.CC(O)=O
1078.46
C51H70N10O12S2
10uM
PTGS2
PTGS1
O=C(O)C(C)C1=CC(NC2=C3C=C(Cl)C=C2)=C3C=C1
273.06
C15H12ClNO2
10uM
SLC16A1
NA
O=C(C1=C2SC(CC3=C(NN=C3C)C)=C1C(N4C[C@@H](CO4)O)=O)N(C(N2CC(C)C)=O)C
461.17
C21H27N5O5S
10uM
MGLL
NA
OC(C1=CC=C(OCO2)C2=C1)(C3CCN(C(OC4=CC=C([N+]([O-])=O)C=C4)=O)CC3)C5=CC(OCO6)=C6C=C5
520.15
C27H24N2O9
10uM
SQLE
NA
O=C(O)/C=C\C(O)=O.CC(C)(C)C#C/C=C/CN(CC)CC1=CC(OCC2=CC(C3=CSC=C3)=CS2)=CC=C1
565.2
C31H35NO5S2
10uM
HRH3
NA
O=C(NC)C(C=N1)=CC=C1OC2=CC(CC3)=C(C=C2)CCN3C4CCC4
351.2
C21H25N3O2
10uM
CA2;CA12
CA7;CA5B;CA6;CA4;CA9;CA13;CA5A;CA1
NS(OC[C@]1(OC(C)(C)O2)[C@@H]2[C@H](OC(C)(C)O3)[C@H]3CO1)(=O)=O
339.1
C12H21NO8S
10uM
PDE4B
PDE4D;PDE4A;ENPP4;PDE4C
O=C(NC1=C(Cl)C=NC=C1Cl)C2=CC=C(OC(F)F)C(OCC3CC3)=C2
402.04
C17H14Cl2F2N2O3
10uM
LAP3
LTA4H;ANPEP
CC(C)C[C@@H](C(O)=O)NC([C@@H](O)[C@H](N)CC1=CC=CC=C1)=O
308.17
C16H24N2O4
10uM
PRKCB
GSK3B;PRKCQ;FLT3;PRKCE;RPS6KA3;PRKCD;PRKCH;PRKCA;PRKCZ;RPS6KB1
O=C(C(C1=CN(C)C2=C1C=CC=C2)=C3C4=CN(C5CCN(CC6=NC=CC=C6)CC5)C7=C4C=CC=C7)NC3=O
515.23
C32H29N5O2
10uM
TOP2A
KCNH2;TOP2B
CS(=O)(NC1=CC=C(NC2=C(C=CC=C3)C3=NC4=CC=CC=C42)C(OC)=C1)=O
393.12
C21H19N3O3S
10uM
CCR2
NA
O=C(NCC(N[C@H]1CN([C@@H]2CC[C@](C3=CC=C(OC)N=C3)(O)CC2)CC1)=O)C4=CC=CC(C(F)(F)F)=C4
520.23
C26H31F3N4O4
10uM
HTR2C
HTR2A;HRH1;HTR2B;ADRA2A;ADRA2B;ADRA1A;ADRA1B;ADRA1D;ADRA2C;SLC6A2;SLC6A4;HTR3A;HTR3C;HTR3E;HTR3B;HTR6;HTR7;HTR1A;DRD1;HRH2
CN(CC1)CC2N1C3=CC=CC=C3CC4=CC=CC=C24.Cl
300.14
C18H21ClN2
10uM
SLC6A9
NA
O=C(O)CN(CCOC1=CC=C(C2=CC=C(OCO3)C3=C2)C=C1C(C)(C)C)C.Cl[H]
421.17
C22H28ClNO5
10uM
EGFR
GAK;FGFR2;ERBB3;KRAS;LYN;MKNK1;SLK;ERBB4;MKNK2;LCK;RIPK2;STK10;PDGFRB;EPHA6;ABL1;ERBB2;FLT3;EPHB4
ClC1=C(C=CC(NC2=NC=NC3=C2C=C(C(OC)=C3)OCCCN4CCOCC4)=C1)F
446.15
C22H24ClFN4O3
10uM
NR3C2
KCNQ1;AR;KCND3;KCNA5
C[C@@]12[C@](OC3=O)(CC3)CC[C@@]1([H])[C@@]([C@@H](CC4=CC5=O)SC(C)=O)([H])[C@]([C@]4(CC5)C)([H])CC2
416.2
C24H32O4S
10uM
FNTA
FNTB;FLT3;CHURC1-FNTB;CTSA;GLB1
O=C1N(C2=C(C(C3=CC=CC(Cl)=C3)=C1)C=C(C=C2)[C@@](N)(C4=CN=CN4C)C5=CC=C(C=C5)Cl)C
488.12
C27H22Cl2N4O
10uM
NR1H2
NR1H3
ClC1=C(CN2N=C(C(C(F)(F)F)=CC=C3)C3=C2C4=CC=C(F)C=C4)C=CC(F)=C1
422.06
C21H12ClF5N2
10uM
TRPV1
NA
S=C(N1CCCC2=CC(O)=C(O)C=C2C1)NCCC3=CC=C(Cl)C=C3
376.1
C19H21ClN2O2S
10uM
REN
NA
O=C(N1CCC[C@@H]([C@@H](OCCNC(OC)=O)C2=CC=CC(Cl)=C2)C1)NC[C@@H](NC)C[C@@H]3COCCC3.O=C(C(F)(F)F)O
638.27
C28H42ClF3N4O7
10uM
LPAR1
NA
O=C(O)CC1=CC=C(C2=CC=C(C3=C(NC(O[C@@H](C4=CC=CC=C4)C)=O)C(C)=NO3)C=C2)C=C1
456.17
C27H24N2O5
10uM
ABCC8
NA
O=C(O)[C@@H](CC1=CC=CC=C1)NC([C@H]2CC[C@H](C(C)C)CC2)=O
317.2
C19H27NO3
10uM
BRAF
RAF1
FC1=CC=C(C(F)=C1C(C2=CNC3=NC=C(C=C32)C4=CC=C(C=C4)Cl)=O)NS(CCC)(=O)=O
489.07
C23H18ClF2N3O3S
10uM
CYP17A1
NA
C[C@@]12C(C3=CN=CC=C3)=CC[C@]1([C@@]4(CC=C5[C@@](C)([C@]4(CC2)[H])CC[C@@H](C5)O)[H])[H]
349.24
C24H31NO
10uM
CYP51A1
NA
FC1=CC=C(C(O)(CN2C=NC=N2)CN3C=NC=N3)C(F)=C1
306.1
C13H12F2N6O
10uM
CHUK
IKBKG;IKBKB;IKBKE
O=C(C1=CC=CN=C1)NC2=CC(Cl)=CC3=C2NC4=C3C=CN=C4
322.06
C17H11ClN4O
10uM
KCNN3
KCNN4;KCNN1;KCNN2
O=C1NC2=C(C=CC(Cl)=C2Cl)/C1=N/O
229.96
C8H4Cl2N2O2
10uM
SPHK1
SPHK2;VCP
OC1=CC=C(NC2=NC(C3=CC=C(Cl)C=C3)=CS2)C=C1
302.03
C15H11ClN2OS
10uM
ADORA2A
ADORA1
NC1=NC(N(CCC2=CC=CC=C2)N=C3)=C3C4=NC(C5=CC=CO5)=NN14
345.13
C18H15N7O
10uM
KCNQ2
KCNQ3;KCNQ5;KCNQ4
O=C(OCC)NC1=CC=C(NCC2=CC=C(F)C=C2)C=C1N
303.14
C16H18FN3O2
10uM
MTOR
NA
O=C([C@H]1CC[C@H](C2=NC(C(N3)=CC4=C3C(OC)=CC=C4)=C5C(N)=NC=NN52)CC1)O
406.18
C21H22N6O3
10uM
TBXA2R
NA
CC(C1=O)=C(C(C(C)=C1C)=O)C(C2=CC=CC=C2)CCCCCC(O)=O
354.18
C22H26O4
10uM
CCR5
CCL3;CCR2
C[N+](C)(CC1=CC=C(NC(C2=CC3=CC(C4=CC=C(C)C=C4)=CC=C3CCC2)=O)C=C1)C5CCOCC5.[Cl-]
530.27
C33H39ClN2O2
10uM
GRM4
NA
O=C(C1=NC=CC=C1)NC2=CC=C(S(=O)(NC3=CC=CC=C3Cl)=O)C(Cl)=C2
421
C18H13Cl2N3O3S
10uM
HTR2B
DRD2;DRD4;HTR1A
N#CC1=CC(CN2CCC(NC3=C(C=C(Cl)S4)C4=NC=N3)CC2)=CC=C1F
401.09
C19H17ClFN5S
10uM
PTGDR
NA
O=S(C1=CC(F)=CC2=C1N(CC(C=C3)=CC=C3Cl)C4=C2CCC4CC(O)=O)(C)=O
435.07
C21H19ClFNO4S
10uM
PGR
NA
O=C1CCC2=C3[C@@H](C4=CC=C(N(C)C)C=C4)C[C@@]5(C)[C@](CC[C@]5(OC(C)=O)C(C)=O)([H])[C@]3([H])CCC2=C1
475.27
C30H37NO4
10uM
CA7
CA12;CA13;CA9;CA4;CA5B;CA5A
O=C(NN1C(C)CC2=C1C=CC=C2)C3=CC=C(Cl)C(S(=O)(N)=O)=C3
365.06
C16H16ClN3O3S
10uM
AKR1B10
PTPN1;GPBAR1
C[C@]([C@@]1([H])[C@]2(CC[C@@H]3O)C)(CC[C@@]2([H])C3(C)C)[C@@](C4=CC1)(CC[C@]5(C(O)=O)[C@@]4([H])CC(C)(C)CC5)C
456.36
C30H48O3
10uM
ROCK1;ROCK2
NA
FC1=CN=CC2=C1C(S(N3CCCNC[C@@H]3C)(=O)=O)=CC=C2.[H]Cl.O.O
395.11
C15H23ClFN3O4S
10uM
FGFR1
FGFR3;FGFR2
O=C(C1=C(N)N(C2=CC=C3N=C(C)NC3=C2)N=C1)C(N4)=CC5=C4C=CC=C5
356.14
C20H16N6O
10uM
HCRTR1
NA
O=C(NC1=CC(C)=NC2=C(C=C(C=C21)F)F)NC3=CC=C(C=C3)N(C)C
356.14
C19H18F2N4O
10uM
LACTB
NA
CC(C)(O/N=C(C1=CSC(N)=N1)\C(N[C@H]2[C@H](C)N(S(=O)(O)=O)C2=O)=O)C(O)=O
435.05
C13H17N5O8S2
10uM
HMGCR
CYP3A4
CCC(C)(C)C(O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(O3)=O)[C@@]12[H])=O
418.27
C25H38O5
10uM
PIK3CD
PIK3CG;PIK3CB;PIK3CA
O=C1N(C2=CC=CC=C2)C([C@@H](NC3=C4N=CNC4=NC=N3)C)=CC5=C1C(Cl)=CC=C5
416.12
C22H17ClN6O
10uM
ESR1
NA
ClCC/C(C1=CC=CC=C1)=C(C2=CC=C(OCCO)C=C2)\C3=CC=CC=C3
378.14
C24H23ClO2
10uM
CDK4
NA
O=C(N(C)C)C(N1C2CCCC2)=CC(C1=N3)=CN=C3NC(N=C4)=CC=C4N5CCNCC5
434.25
C23H30N8O
10uM
AGTR2
AGTR1
FC(F)(C(O)=O)F.FC(F)(C(O)=O)F.O=C([C@@H]1CC2=C(N=CN2CC3=CC=C(N(C)C)C(C)=C3)CN1C(C(C4=CC=CC=C4)C5=CC=CC=C5)=O)O
736.23
C35H34F6N4O7
10uM
HTR4
NA
ClC1=C(N)C(CCO2)=C2C(C(NC3CCN(CCCOC)CC3)=O)=C1
367.17
C18H26ClN3O3
10uM
PIK3CA
MTOR;AKT1;AKT2;AKT3;PIK3CB;PIK3CD;PIK3CG
CN(C1CCN(C(C2=CC=C(NC(NC3=CC=C(C4=NC(N5CCOCC5)=NC(N6CCOCC6)=N4)C=C3)=O)C=C2)=O)CC1)C
615.33
C32H41N9O4
10uM
MCL1
NA
O=C(O)CSC1=CC(NS(=O)(C2=CC=C(Br)C=C2)=O)=C3C=CC=CC3=C1O
466.95
C18H14BrNO5S2
10uM
ELANE
NA
O=C1[C@@H](C(C)C)[C@@](N(C(/C=C/CN2CCCCC2)=O)CC3)([H])[C@]3([H])N1S(=O)(C)=O
397.2
C19H31N3O4S
10uM
GCK
NA
O=C(NC1=NC=CS1)[C@H](CC2CCCC2)C3=CC=C(S(=O)(C)=O)C=C3
378.11
C18H22N2O3S2
10uM
C1S
F10;PLG;F12;F2;CFD
N=C(C1=CC2=CC=C(OC(C3=CC=CS3)=O)C=C2S1)N.O=S(O)(C)=O
398.01
C15H14N2O5S3
10uM
KCNN4
NA
ClC1=CC=CC=C1C(N2N=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
344.11
C22H17ClN2
10uM
FFAR1
FFAR4
O=C(O)CCC1=CC=C(NCC2=CC=CC(OC3=CC=CC=C3)=C2)C=C1
347.15
C22H21NO3
10uM
CFTR
NA
O=C(C1(C2=CC=C(OC(F)(F)O3)C3=C2)CC1)NC4=CC5=C(N(C[C@@H](O)CO)C(C(C)(C)CO)=C5)C=C4F
520.18
C26H27F3N2O6
10uM
P2RX7
NA
ClC1=C(Cl)C(C2=NN=NN2CC3=CC=CN=C3)=CC=C1
305.02
C13H9Cl2N5
10uM
ATM
NA
C[C@@H]1O[C@@H](CN(CC(NC2=CC3=C(C=C2)SC4=C(C3)C=CC=C4C5=CC(C=C(O5)N6CCOCC6)=O)=O)C1)C
547.21
C30H33N3O5S
10uM
PTGDR2
PTGDR
O=C(O)CN1C(C)=C(CC2=NC3=CC=CC=C3C=C2)C4=C1C=CC(F)=C4
348.13
C21H17FN2O2
10uM
PTGIR
NA
OC(COCCCCN(C(C)C)C1=NC(C2=CC=CC=C2)=C(C3=CC=CC=C3)N=C1)=O
419.22
C25H29N3O3
10uM
HCN4
HCN1;HCN2;HCN3
O=C1N(CCCN(C[C@@H]2C3=CC(OC)=C(OC)C=C3C2)C)CCC4=CC(OC)=C(OC)C=C4C1.Cl
504.24
C27H37ClN2O5
10uM
CACNA1B
CACNA1A;CACNA1S;CACNA1C
O=C(CC(C1=CC=CC=C1)C2=CC=CC=C2)N3CCN(C(C4=CC=CC=C4)C5=CC=CC=C5)CC3
460.25
C32H32N2O
10uM
TNKS2
TNKS
O=C(NC1=C2N=CC=CC2=CC=C1)C3=CC=C(N(C([C@]4([H])[C@](C5)([H])C=C[C@]5([H])[C@]64[H])=O)C6=O)C=C3
409.14
C25H19N3O3
10uM
CACNA1C
CACNA1S;CACNA1H;CACNA1D;CACNA1I;CACNA1G;CYP1A2;HIF1A;CYP2C9;CYP3A4;ABCB1
O=C(C1=C(C)NC(C)=C(C(OC)=O)C1C2=CC=CC=C2[N+]([O-])=O)OC
346.12
C17H18N2O6
10uM
PAH
NA
O=C1C2=C(NC(N)=N1)NCC(C(O)C(O)C)N2
241.12
C9H15N5O3
10uM
ACE
NA
O=C([C@H]1N(C([C@@H](N[C@H](C(OCC)=O)CCC)C)=O)[C@@]2([H])CCCC[C@@]2([H])C1)O.CC(C)(C)N
441.32
C23H43N3O5
10uM
PRNP
NA
C1(C2=NC3=CC=CC=C3C=C2)=NC4=CC=CC=C4C=C1
256.1
C18H12N2
10uM
CTSB
NA
O=C(N1[C@@H](CCC1)C(O)=O)[C@@]([C@@H](C)CC)([H])NC([C@@H]2[C@@H](C(NCCC)=O)O2)=O
383.21
C18H29N3O6
10uM
FDPS
NA
OC(P(O)(O)=O)(P(O)(O)=O)CCN
235
C3H11NO7P2
10uM
PTGFR
NA
OC(CCC/C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)COC2=CC(Cl)=CC=C2)=O
424.16
C22H29ClO6
10uM
BLM
NA
OC([C@@H](N)CCl)=O
123.01
C3H6ClNO2
10uM
CACNA1H
NA
O=C(NC[C@@H]1[C@@]2([H])CN(CCC(C)(C)C)C[C@@]12[H])C3=CC(Cl)=CC(Cl)=C3
368.14
C19H26Cl2N2O
10uM
SSRP1
NA
CC(NCCN1C2=C(C3=C1C=CC(C(C)=O)=C3)C=C(C(C)=O)C=C2)C.[H]Cl
372.16
C21H25ClN2O2
10uM
DHFR
NA
NC1=NC=C(CC2=C3C=CC(C4CC4)OC3=C(OC)C(OC)=C2)C(N)=N1
354.17
C19H22N4O3
10uM
TOP1
NA
O=C1[C@](O)(CC)C2=C(CO1)C(N3CC4=CC5=C(N)C=CC=C5N=C4C3=C2)=O
363.12
C20H17N3O4
10uM
EDNRA
CYP3A4;EDNRB
O=S([N-]C1=C(C(C)=NO1)Cl)(C2=C(SC=C2)C(CC3=C(C=C4OCOC4=C3)C)=O)=O.[Na+]
475.99
C18H14ClN2NaO6S2
10uM
HTR1B
HTR1D
O=C(C1=CC=C(C2=CC=C(C3=NOC(C)=N3)C=C2C)C=C1)N4CCC5=C4C=C6C(OCC67CCN(C)CC7)=C5.Cl
556.22
C32H33ClN4O3
10uM
ADRB3
ADRB2;ADRB1
O=S(C1=CC=C(NC(NCCCCCC)=O)C=C1)(NC2=CC=C(CCNC[C@H](O)COC3=CC=C(O)C=C3)C=C2)=O
584.27
C30H40N4O6S
10uM
ERN1
NA
O=CC1=C(C(OC)=CC=C1Br)O
229.96
C8H7BrO3
10uM
CYP1A1
NA
O=C1C=C(C2=CC=CC=C2)OC3=CC=CC(O)=C13
238.06
C15H10O3
10uM
DYRK2;HASPIN
DYRK3
NCCCSC1=C(C=C(OC)C=C2)C2=NC3=CC=C(OC)C=C31
328.12
C18H20N2O2S
10uM
OPRK1
NA
O[C@H]1CCN(C1)C[C@H](C2=CC=CC=C2)N(C)C(C(C3=CC=CC=C3)C4=CC=CC=C4)=O
414.23
C27H30N2O2
10uM
C3AR1
NA
N=C(N)NCCC[C@@H](C(O)=O)NC(COCC(C1=CC=CC=C1)C2=CC=CC=C2)=O.OC(C(F)(F)F)=O
526.2
C24H29F3N4O6
10uM
GPR183
NA
O=C(N1CCN(C(C2=CC=C(OC)C=C2)=O)CC1)/C=C/C3=CC=C(Br)C=C3
428.07
C21H21BrN2O3
10uM
IDO1
NA
OCC1=CNC2=C1C=CC=C2
147.07
C9H9NO
10uM
KDM1A
NA
C1(N[C@H]2[C@H](C3=CC=CC=C3)C2)CCNCC1.Cl.Cl
288.12
C14H22Cl2N2
10uM
ESRRG
NA
CC(C1=CC=C(O)C=C1)(C2=CC=C(O)C=C2)C
228.12
C15H16O2
10uM
CNR2
NA
ClC1=CC(Cl)=C(NC2=NC=C(C(NCC3CCOCC3)=O)C(C(F)(F)F)=N2)C=C1
448.07
C18H17Cl2F3N4O2
10uM
SRD5A2
SRD5A1
C[C@@]12[C@](CC[C@@H]2C(NC(C)(C)C)=O)([H])[C@@]3([H])[C@]([C@@]4(C(C=C(C(O)=O)CC4)=CC3)C)([H])CC1
399.28
C25H37NO3
10uM
BDKRB1
NA
CC(C)(C)OC(N(CC1)CCC1OC2CCNCC2)=O
284.21
C15H28N2O3
10uM
CDK2
NA
O=C(O)C1=CC=C(NC2=C3N=CN(C(C)C)C3=NC(N[C@@H](CO)C(C)C)=N2)C=C1Cl
432.17
C20H25ClN6O3
10uM
ABCG2
NA
O=C([C@]1([H])CC2=C([C@H](/C=C(C)\C)N13)NC4=C2C=CC(OC)=C4)N5[C@](CCC5)([H])C3=O
379.19
C22H25N3O3
10uM
SFRP1
NA
O=S(C1=CC(S(=O)(C2=CC=CC=C2)=O)=CC=C1C(F)(F)F)(NC3CCNCC3)=O
448.07
C18H19F3N2O4S2
10uM
AKR1C3
NA
O=S(N1CC2=CC=CC=C2CC1)(C3=CC(C(O)=O)=CC=C3)=O
317.07
C16H15NO4S
10uM
PTPN1
NA
OC1=C(OC)C(O)=C([C@@]2([H])[C@@](OC3=O)([H])[C@@H](O)[C@H](O)[C@@H](CO)O2)C3=C1
328.08
C14H16O9
10uM
CA1
NA
O=C1C=CC2=CC(OC)=C(OC)C(OC)=C2O1
236.07
C12H12O5
10uM
TPH1
NA
N[C@@H](CC1=CC=C(C2=NC(N)=NC(OC(C3=CC=C(C4=CC=CC(F)=C4)C=C3)C(F)(F)F)=C2)C=C1)C(O)=O
526.16
C27H22F4N4O3
10uM
LCK
SRC
NC1=C2C(N(C3CCCC3)C=C2C4=CC=C(OC5=CC=CC=C5)C=C4)=NC=N1
370.18
C23H22N4O
10uM
APLNR
NA
O=C1C=C(CSC2=NC=CC=N2)OC=C1OC(C3=CC=C([N+]([O-])=O)C=C3)=O
385.04
C17H11N3O6S
10uM
ADRB2
BLM;ADRB1
O=C(C1=CC=C2C=CC=CC2=C1O)O.OC3=C(CO)C=C(C(CNCCCCCCOCCCCC4=CC=CC=C4)O)C=C3
603.32
C36H45NO7
10uM
ADRA1D
ADRA1B;ADRA1A
O=C(C1OCCC1)NCCCN(C2=NC(N)=C3C=C(OC)C(OC)=CC3=N2)C
389.21
C19H27N5O4
10uM
AR
NR3C1
C[C@@]12[C@@](C)(O)CC[C@@]1([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3(F)[C@@H](O)C2)=O
336.21
C20H29FO3
10uM
CYP2C19
CYP3A4
CC(C)(C)C(O)/C=C/C1=CC=C(OCO2)C2=C1
234.13
C14H18O3
10uM
CYP1B1
NA
C12=CC=C3C=CC=C4C=CC(C2=C34)=CC=C1
202.08
C16H10
10uM
GPR35
NA
O=C(O)C1=C(O)C(CC2=C3C=CC=CC3=CC(C(O)=O)=C2O)=C4C=CC=CC4=C1
388.1
C23H16O6
10uM
LYN
NA
O=C1N=CC(OC2=CC=CC(C)=C2)=CN1
202.07
C11H10N2O2
10uM
LYPLA2
NA
COC1=CC=C(N2CCN(C(C3=CC4=C(C(C=CC=C5)=C5S(C4)(=O)=O)S3)=O)CC2)C=C1
454.1
C23H22N2O4S2
10uM
PTGFR
NA
CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(O)=O.OCC(CO)(N)CO
475.32
C24H45NO8
10uM
DPP8
DPP9;DPP4
O=C(OCC1=CC=C([N+]([O-])=O)C=C1)NCCCC[C@H](N)C(N2CCCC2)=O
378.19
C18H26N4O5
10uM
PTGER4
NA
ClC1=CC=C(OC2=CC=C(F)C=C2)C(C(N[C@H](C3=CC=C(C(O)=O)C=C3)C)=O)=C1
413.08
C22H17ClFNO4
10uM
BTK
EGFR;BLK;BMX;PLCG2;LYN;PLCG1;LCK;ITK;FGFR2
C=CC(N1CC(N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O
440.2
C25H24N6O2
10uM
CYP2B6
NA
C1(CC2=CC=CC=C2)=CC=NC=C1
169.09
C12H11N
10uM
TYR
NA
CCCCC1=C(C=C(O)C=C1)O
166.1
C10H14O2
10uM
HPD
NA
O=C(C1C(CCCC1=O)=O)C2=C(C=C(S(C)(=O)=O)C=C2)Cl
328.02
C14H13ClO5S
10uM
SIRT2
NA
O=C(NC1=C2C=CC=NC2=CC=C1)/C(C#N)=C/C3=CC=C(C4=CC(Cl)=CC=C4Cl)O3
433.04
C23H13Cl2N3O2
10uM
CES1
NA
O=C1C(C2=C3C1=CC=CC3=CC=C2)=O
182.04
C12H6O2
10uM
MMP13;MMP2
MMP9;MMP3;MMP8;MMP14;MMP7;ADAM17;MMP1
O=C([C@@H]1N(S(=O)(C2=CC=C(OC3=CC=NC=C3)C=C2)=O)CCSC1(C)C)NO
423.09
C18H21N3O5S2
10uM
HTR1F
NA
O=C(NC1=NC(C(C2CCN(C)CC2)=O)=CC=C1)C3=C(F)C=C(F)C=C3F.[H]Cl
413.11
C19H19ClF3N3O2
10uM
PPARA
PPARG;PPARD
CC(C)(SC1=CC=C(CCN(C(NC2CCCCC2)=O)CCCCC3CCCCC3)C=C1)C(O)=O
502.32
C29H46N2O3S
10uM
PDE5A
PDE11A
O=C([C@@]1([H])CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N15)NC6=C2C=CC=C6)N(C)CC5=O
389.14
C22H19N3O4
10uM
NR1H4
GPBAR1
C[C@@]([C@]1([H])[C@@H](CC)[C@H]2O)(CC[C@@H](O)C1)[C@]3([H])[C@]2([H])[C@@](CC[C@]4([H])[C@H](C)CCC(O)=O)([H])[C@]4(C)CC3
420.32
C26H44O4
10uM
DHODH
NA
O=C(C1=C(C)C(C2=CC=C(C3=CC=CC=C3F)C=C2)=NC4=CC=C(F)C=C14)O
375.11
C23H15F2NO2
10uM
GRIN2B
NA
O=C(N1C[C@@H](F)[C@@H](CNC2=NC=CC=N2)CC1)OCC3=CC=C(C)C=C3
358.18
C19H23FN4O2
10uM
CYP2D6
KCNH2;CYP3A4;ABCB1
C=C[C@H]1C[N@](CC[C@H]1C2)[C@@]2([H])[C@@H](O)C3=CC=NC4=CC=C(OC)C=C34
324.18
C20H24N2O2
10uM
FOLH1
NAALADL1;KLK3
O=C(O)C(CP(O)(O)=O)CCC(O)=O
226.02
C6H11O7P
10uM
DRD2
HRH1;HTR2A
O=S(C1=CC(/C2=C\CCN3CCN(C)CC3)=C(SC4=C2C=CC=C4)C=C1)(N(C)C)=O
443.17
C23H29N3O2S2
10uM
THRB
NA
ClC1=NC(Cl)=NC(Cl)=N1
182.92
C3Cl3N3
10uM
NR1H4
RXRA
O=C(C1=CC=CC(/C=C/C2=CC=C(C=C2Cl)OCC3=C(ON=C3C4=C(Cl)C=CC=C4Cl)C(C)C)=C1)O
541.06
C28H22Cl3NO4
10uM
HTR1F
HTR1A;HTR1D;HTR1B
O=C(C1=CC=C(F)C=C1)NC2=CC3=C(C=C2)NC=C3C4CCN(C)CC4
351.18
C21H22FN3O
10uM
PIK3CB
PTEN
CC1=NC2=C(C(O)=O)C=C(C=C2N1CC3=CC=CC(C(F)(F)F)=C3C)N4CCOCC4
433.16
C22H22F3N3O3
10uM
CES2
CES3;CES5A;CES1
O=C(C1=CC=C(OC)C=C1)C(C2=CC=C(OC)C=C2)=O
270.09
C16H14O4
10uM
TAAR1
NA
NCCC1=CC=CC=C1Br
199
C8H10BrN
10uM
TRPA1
NA
CCC(/C(C)=C/C1=CC=C(F)C=C1)=N\O
207.11
C12H14FNO
10uM
SLC6A2
SLC6A4
CC1=CC=CC=C1O[C@@H](C2=CC=CC=C2)CCNC.[H]Cl
291.14
C17H22ClNO
10uM
HRH1
NA
O=C(O)COCCN1CCN(C(C2=CC=C(Cl)C=C2)C3=CC=CC=C3)CC1.Cl.Cl
460.11
C21H27Cl3N2O3
10uM
HPRT1
NA
NC1=C2C=CC=CC2=C3C(C4=CC=CC=C4C=C3)=C1
243.1
C18H13N
10uM
PPME1
NA
O=C(N1N(C(OC)=O)[C@@](C2=CC=CC=C2)(C3CCCC3)C1=O)OC
332.14
C17H20N2O5
10uM
TSHR
NA
NC(NCCN1CCCCCCC1)=N.O=S(O)(O)=O
296.15
C10H24N4O4S
10uM
METAP2
NA
C[C@]1([C@@H](C/C=C(C)/C)O1)[C@]([C@@H]2OC)([H])[C@]3(CC[C@H]2OC(NC(CCl)=O)=O)CO3
401.16
C19H28ClNO6
10uM
CTSL
CTSB;CTSV;CTSS;CTSK;PRSS1
O=S(O)(O)=O.O=C(N[C@H](C(N[C@H](C([H])=O)CCCNC(N)=N)=O)CC(C)C)[C@@H](NC(C)=O)CC(C)C.O=C(N[C@H](C(N[C@H](C([H])=O)CCCNC(N)=N)=O)CC(C)C)[C@@H](NC(C)=O)CC(C)C
950.56
C40H78N12O12S
10uM
AKT1
AKT2;AKT3
O=C1N2C(C3=CC(C4=CC=CC=C4)=C(N=C3C=C2)C5=CC=C(C6(N)CCC6)C=C5)=NN1.Cl.Cl
479.13
C25H23Cl2N5O
10uM
ACHE
HMGCR
C/C=C/C1=C(OC)C=C(OC)C(OC)=C1
208.11
C12H16O3
10uM
S1PR1
S1PR5;S1PR4
O=C(C1CN(CC2=CC=C(/C(C)=N/OCC3=CC=C(C4CCCCC4)C(C(F)(F)F)=C3)C=C2CC)C1)O
516.26
C29H35F3N2O3
10uM
MDM2
TP53
O=C(N1C(C2=C(C=C(C=C2)OC)OC(C)C)=N[C@H]([C@H]1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)N5CC(NCC5)=O
580.16
C30H30Cl2N4O4
10uM
EDNRA
EDNRB
O=S(NC1=NC(C2=NC=CC=N2)=NC(OCCO)=C1OC3=CC=CC=C3OC)(C4=CC=C(C(C)(C)C)C=C4)=O
551.18
C27H29N5O6S
10uM
KIF11
NA
O=C(N1[C@@](C2=CC=CC=C2)(CCCN)SC(C3=CC(F)=CC=C3F)=N1)N(OC)C
420.14
C20H22F2N4O2S
10uM
F10
NA
O=C(O[C@@H]1CNC(C2=CC=C(Cl)S2)=O)N(C1)C(C=C3)=CC=C3N4C(COCC4)=O
435.07
C19H18ClN3O5S
10uM
CETP
NA
O=C([C@H]1CC[C@H](CN2CCC[C@H](N(CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C4=NN(C)N=N4)C5=CC(C)=CC(C)=C52)CC1)O
638.28
C31H36F6N6O2
10uM
VDR
BGLAP;RXRB;RXRG;RXRA
C=C1[C@H](C[C@@H](C/C1=C/C=C2[C@]3([C@@](C)([C@H](CC3)[C@@H](/C=C/[C@H](C4CC4)O)C)CCC/2)[H])O)O
412.3
C27H40O3
10uM
DRD2
NA
O=C1C2=C(NC(C)=C2CC)CCC1CN3CCOCC3.[H]Cl
312.16
C16H25ClN2O2
10uM
MTOR
NA
CO[C@H]1[C@@H](N2C=NN=N2)CC[C@@H](C[C@H]([C@@](CC([C@@H](/C=C([C@H]([C@H](C([C@@H](C[C@@H]3C)C)=O)OC)O)\C)C)=O)([H])OC([C@@](CCCC4)([H])N4C(C([C@](O[C@]5([H])C[C@@H](/C(C)=C/C=C/C=C/3)OC)([C@@H](CC5)C)O)=O)=O)=O)C)C1
965.57
C52H79N5O12
10uM
CCR5
NA
CC1(N2C[C@H](C)N([C@H](C3=CC=C(C(F)(F)F)C=C3)COC)CC2)CCN(C(C4=C(C)N=CN=C4C)=O)CC1.O=C(O)/C=C\C(O)=O
649.31
C32H42F3N5O6
10uM
PLA2G4A
NA
O=C(CN1C(C=CC(C(O)=O)=C2)=C2C(C(C(C)C)=O)=C1)COC(C=C3)=CC=C3OC4=CC=CC=C4
471.17
C28H25NO6
10uM
HTR2C
HTR2A;HTR2B
C[C@H]1CNCCC2=CC=C(Cl)C=C12
195.08
C11H14ClN
10uM
HRH1
PTAFR
CC1=CN=CC(CN2CC/C(CC2)=C3C4=CC=C(Cl)C=C4CCC5=CC=CN=C5\3)=C1.O=C(O)/C=C/C(O)=O
531.19
C30H30ClN3O4
10uM
CXCR4
NA
C1(CNC2=NC=CC=C2)=CC=C(CNC3=NC=CC=C3)C=C1
290.15
C18H18N4
10uM
GHSR
GH1
CC(N)(C(N[C@@H](C(N1CCC2(CN(C3=C2C=CC=C3)S(=O)(C)=O)CC1)=O)COCC4=CC=CC=C4)=O)C.CS(=O)(O)=O
624.23
C28H40N4O8S2
10uM
BTK
BLK;ERBB4;EGFR;BMX;FGR;PTK6;SRC;HCK;YES1;ERBB2;JAK3;ITK;LCK;FYN;ABL1;TEC;RET;LYN
C=CC(N1C[C@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O
440.2
C25H24N6O2
10uM
ROCK1
NA
O=C(C(C(C1=CC=C(C(F)(F)F)C=C1)C2)=C(C)NC2=O)NC3=CC4=C(NN=C4)C=C3F
432.12
C21H16F4N4O2
10uM
PTGIR
PTGER3
O=C(O)CCC/C=C1C[C@@]2([H])C[C@@H](O)[C@H](/C=C/[C@@H](O)C(C)CC#CC)[C@@]2([H])C\1
360.23
C22H32O4
10uM
ENPP2
NA
O=C1N(CC2=CC=C(F)C=C2)C(S/C1=C\C3=CC=C(OCC4=CC(B(O)O)=CC=C4)C=C3)=O
463.11
C24H19BFNO5S
10uM
AHR
NA
O=C(C1=CC=NN1C)NC2=CC=C(/N=N/C3=CC=CC=C3C)C=C2C
333.16
C19H19N5O
10uM
LCK
SRC
O=C(OC1=C(C)C=CC=C1C)N(C2=CC=C(OC)C=C2OC)C3=NC(NC4=CC=C(N5CCN(C)CC5)C=C4)=NC=C3
568.28
C32H36N6O4
10uM
PTK2
PTK2B
CS(=O)(N(C)C1=CC=CC=C1CNC2=NC(NC3=CC4=C(C=C3)NC(C4)=O)=NC=C2C(F)(F)F)=O
506.14
C22H21F3N6O3S
10uM
SYK
FLT3
C12=NC=CN1C=C(C3=CC4=C(C=C3)C=NN4)N=C2NC5=CC=C(N6CCOCC6)C=C5
411.18
C23H21N7O
10uM
RAF1
MAPK14
O=C(NC1=CC=C(C)C(NC(C2=CC=C(O)C=C2)=O)=C1)C3=CC=CC(N(C)C)=C3
389.17
C23H23N3O3
10uM
ERBB2
EGFR
ClC(C=C(NC1=NC=NC2=C1N(CCNC(CC(C)(C)O)=O)C=C2)C=C3)=C3OC4=CC=CC(C(F)(F)F)=C4
547.16
C26H25ClF3N5O3
10uM
AGTR1
AGTR2;PPARG
O=C(C1=CC=CC=C1C2=CC=C(CN3C4=CC(C5=NC6=CC=CC=C6N5C)=CC(C)=C4N=C3CCC)C=C2)O
514.24
C33H30N4O2
10uM
EZH2
NA
O=C(C1=CC(C2=CC=C(N3CCNCC3)N=C2)=CC4=C1C(C)=CN4[C@@H](C)CC)NCC5=C(C)C=C(C)NC5=O
526.31
C31H38N6O2
10uM
NAMPT
NA
O=C(NC1=CC=CN=C1)C2=CC=C(CNS(=O)(C3=CC=C(C(C)(C)C)C=C3)=O)C=C2
423.16
C23H25N3O3S
10uM
ABL1
BCR;LYN;PDGFRB;KIT
O=C(C1=CC=C(C(C(F)(F)F)=C1)CN2C[C@@H](N(C)C)CC2)NC3=CC=C(C)C(NC4=NC=CC(C5=CN=CN=C5)=N4)=C3
576.26
C30H31F3N8O
10uM
DPP4
CYP3A4
O=C1N(C2=C(C(N1CC3=NC(C)=C4C=CC=CC4=N3)=O)N(CC#CC)C(N5CCC[C@@H](N)C5)=N2)C
472.23
C25H28N8O2
10uM
LRRK2
NA
CS(=O)(NC1=CC=CC=C1NC2=NC(NC3=CC=C(N4CCOCC4)C=C3OC)=NC=C2F)=O
488.16
C22H25FN6O4S
10uM
PIK3CB
NA
O=C1N2C(C([C@H](NC3=CC=CC=C3C(O)=O)C)=CC(C)=C2)=NC(N4CCOCC4)=C1
408.18
C22H24N4O4
10uM
CXCR2
CXCR1
O=C1C(C(NC2=CC=CC(C(N(C)C)=O)=C2O)=C1N[C@H](CC)C3=CC=C(O3)C)=O
397.16
C21H23N3O5
10uM
PPARD
PPARG;PPARA
O=C(O)COC(C=C1)=CC=C1OCCCOC2=CC=C(C(C)=O)C(O)=C2CCC
402.17
C22H26O7
10uM
PIK3CD
PIK3CG
O=C1N(C(CN2C3=C(C(N)=NC=N3)N=C2)=NC4=CC=CC(C)=C14)C5=C(C)C=CC=C5
397.16
C22H19N7O
10uM
SLC9A1
NA
CS(=O)(C1=C(N2C=CC=C2)C=C(C)C(C(NC(N)=N)=O)=C1)=O.[H]Cl
356.07
C14H17ClN4O3S
10uM
TLR7
NA
O=C1NC2=C(N)N=C(OCCCC)N=C2N(CC3=CC=CC(CN4CCCC4)=C3)C1
410.24
C22H30N6O2
10uM
HRH2
GSK3B
CC1=C(CSCC/N=C(NC)/NC#N)NC=N1
252.12
C10H16N6S
10uM
TGFBR1
ACVR1B
CC(C)(C1=NC(C2=CC=CC(C)=N2)=C(C3=CC=C4N=CC=NC4=C3)N1)C
343.18
C21H21N5
10uM
JAK2
JAK3
CC1=NNC(NC2=NN3C(C(CN4CCOCC4)=C2)=NC(C)=C3CC5=CC=C(C=C5F)Cl)=C1
469.18
C23H25ClFN7O
10uM
MET
NA
FC(F)(C1=NN=C2C=CC(C3=CN(C)N=C3)=NN21)C4=CC5=C(N=CC=C5)C=C4
377.12
C19H13F2N7
10uM
CYP17A1
NA
O=C(C1=CC=C2C=C([C@@]3(O)CCN4C=NC=C43)C=CC2=C1)NC
307.13
C18H17N3O2
10uM
ADRB1;ADRB2
ADRA1D;ADRA1B;ADRB3;HTR1A;HTR2B;ADRA2C;ADRA2B;ADRA2A;DRD2;HTR2C;HTR2A;DRD3;HTR1B;KCNH2
OC(CNCCOC1=CC=CC=C1OC)COC2=CC=CC(N3)=C2C4=C3C=CC=C4
406.19
C24H26N2O4
10uM
PTGS2
SC5D;PTGS1
O=C1OCC(C2=CC=C(S(=O)(C)=O)C=C2)=C1C3=CC=CC=C3
314.06
C17H14O4S
10uM
PIK3CA
PIK3CG;PIK3CD;PIK3CB
NC1=NC=C(C2=C3C(N(S(=O)(C)=O)CC3)=NC(N4CCOCC4)=N2)C=N1
377.13
C15H19N7O3S
10uM
TACR1
NA
C[C@@](C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)([H])OC[C@@]2(C3=CC=CC=C3)CC[C@@](CCC4=O)(N4)CN2
500.19
C25H26F6N2O2
10uM
EDNRB
NA
CCCC[C@H](C([O-])=O)NC([C@@H](CC1=CN(C(OC)=O)C2=CC=CC=C12)NC([C@H](CC(C)(C)C)NC(N3[C@H](C)CCC[C@@H]3C)=O)=O)=O.[Na+]
663.36
C34H50N5NaO7
10uM
AURKB
AURKC;FLT1
O=C(NC1=CC=C(C2=NN(C=C2C3=C4C(NC(C5=CC=CC(CN(C)C)=C5)=C4)=NC=C3)CC)C=C1)N(C)C
507.28
C30H33N7O
10uM
DOT1L
NA
NC1=C2C(N([C@H]3[C@H](O)[C@H](O)[C@@H](CN(C(C)C)CCCNC(NC4=CC=C(C(C)(C)C)C=C4)=O)O3)C=C2)=NC=N1
539.32
C28H41N7O4
10uM
PDE10A
NA
CN(N=C1C2=CC=C(OCC3=NC4=CC=CC=C4C=C3)C=C2)C=C1C5=CC=NC=C5
392.16
C25H20N4O
10uM
BRAF
RAF1;PDGFRB;KIT;ABL1
O=S(NC1=CC=C(C(C(C2=CNC3=NC=C(C=C23)Cl)=O)=C1F)F)(CCC)=O
413.04
C17H14ClF2N3O3S
10uM
BRD4
NA
O=C(NC1=CC=C(O)C=C1)C[C@H]2C3=NN=C(C)N3C4=C(C(C)=C(C)S4)C(C5=CC=C(Cl)C=C5)=N2
491.12
C25H22ClN5O2S
10uM
CDK2
CCNE1;CCNE2;GSK3B;CCNB1;CDK1;CCNT1;CDK6;CCND3;CDK9;CCNA1;CCNA2
O=S(C1=CC=C(NC2=NC(C3=CN=C(N3C(C)C)C)=CC=N2)C=C1)(C)=O
371.14
C18H21N5O2S
10uM
ATR
MTOR
O=S(C1(C2=CC(N3[C@H](C)COCC3)=NC(C4=CC=CC5=C4C=CN5)=N2)CC1)(C)=O
412.16
C21H24N4O3S
10uM
CHRNA7
NA
O=C(NC1=CC(Cl)=C(C=C1OC)OC)NC2=NOC(C)=C2
311.07
C13H14ClN3O4
10uM
MAOA
NA
C#CCN(CCCOC1=CC=C(Cl)C=C1Cl)C.[H]Cl
307.03
C13H16Cl3NO
10uM
TRPV4
NA
O=S(C1=CC=C(Cl)C=C1Cl)(N(C(C)C)CCNC(C)C)=O
352.08
C14H22Cl2N2O2S
10uM
PGR
ALPP;ALPI;ALPL;AR;NR3C1;NR3C2;ESR2;ESR1
CC([C@H]1CC[C@@]2([H])[C@]3([H])CCC4=CC(CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O)=O
314.22
C21H30O2
10uM
ESR1
ESR2;NR1I2;SLC6A4;NR3C1;CYP2B6
OC1=CC=C2C(CC[C@]3([H])[C@]2([H])CC[C@@]4(C)[C@@]3([H])CC[C@]4(C#C)O)=C1
296.18
C20H24O2
10uM
SLC6A12
SLC6A1
O=C([C@H]1CN(CC/C=C(C2=C(C)C=CS2)/C3=C(C)C=CS3)CCC1)O.[H]Cl
411.11
C20H26ClNO2S2
10uM
HDAC6
NA
O=C(NO)C1=CC=C(CN(CCCC)C(NC2=CC=CC=C2)=O)C=C1
341.17
C19H23N3O3
10uM
TBXAS1
NA
O=C(O)/C=C/C1=CC=C(CN2C=CN=C2)C=C1
228.09
C13H12N2O2
10uM
CNR1
CNR2
ClC1=CC=C(C2=C(C)C(C(NN3CCCCC3)=O)=NN2C4=CC=C(Cl)C=C4Cl)C=C1.Cl
498.06
C22H22Cl4N4O
10uM
HCRTR2
HCRTR1
O=C([C@H]1N(C(CSC2=NC3=CC=CC=C3N2C)=O)CCC1)NC4=CC=CC=C4C5=CC=CC=C5
470.18
C27H26N4O2S
10uM
CDK4
PIM1;CDK6
CC(N1C2=CC(C3=NC(NC4=NC=C(CN5CCN(CC)CC5)C=C4)=NC=C3F)=CC(F)=C2N=C1C)C.CS(=O)(O)=O
602.26
C28H36F2N8O3S
10uM
CAPN1
NA
OC1=C(C(C)(C)C)C=C(C)C=C1C(C)(C)C
220.18
C15H24O
10uM
HTR1A
DRD2;DRD3;ADRA1A;ADRA1D;ADRA1B;HTR2A;HTR2C;HTR2B
O=C(N(CCCCN1CCN(C2=NC=CC=N2)CC1)C(C3)=O)CC43CCCC4.[H]Cl
421.22
C21H32ClN5O2
10uM
PDE5A
NA
FC1=CC2=C(N=CN=C2C=C1)NCC3=CC=C(F)C=C3
271.09
C15H11F2N3
10uM
CYP19A1
NA
O=C1CC[C@]2([H])[C@@](CC[C@]3([H])[C@@]4(C)C=CC(C=C4CC[C@]32[H])=O)(C)O1
300.17
C19H24O3
10uM
EGFR
NA
C#CC1=CC(NC2=C(C=C(OCCOCCOCCO3)C3=C4)C4=NC=N2)=CC=C1.[H]Cl
427.13
C22H22ClN3O4
10uM
HCRTR1
HCRTR2
FC1=C(C2=C(C(N3[C@H](CC4=NN=C(C5=CC=CC=C5)O4)CCC3)=O)N=C(C)S2)C=CC=C1
448.14
C24H21FN4O2S
10uM
AKT2
AKT1;RPS6KB1;PRKACA;ROCK2
ClC1=CC=C(C=C1)CC2(CCN(CC2)C3=NC=NC4=C3C=CN4)N
341.14
C18H20ClN5
10uM
HCAR2
NA
OC(C=C1)=CN=C1C2=NOC(CC(C)(C)C(NC3=C(C(O)=O)CCCC3)=O)=N2
386.16
C19H22N4O5
10uM
IGF1R
NA
O=C1OC[C@]2([H])[C@@H](O)C3=C(C=C4OCOC4=C3)[C@@H](C5=CC(OC)=C(OC)C(OC)=C5)[C@@]21[H]
414.13
C22H22O8
10uM
AURKA
AURKC;AURKB;ABL1;FLT3;PLK4;ABL2;BCR;RET;RIPK1;DDR1;NTRK1;MAP4K5;SRPK1;MYLK2;TNK1;BMP2K;MAP4K1;SLK;FLT1;STK10;PIP4K2B;PIP5K1A;NUAK1;AXL;STK4;MAP3K12;NTRK3;MAP3K13;TIE1;CDK16;MAP4K3;CDK11B;AAK1;CDK11A;NTRK2;MUSK;INSRR;LCK;RIOK1;PRKAA2;CSNK2A2;CSNK2A1;ROS1;MAP3K9;PDGFRB;TEK;YES1;STK3;NUAK2;EPHA8;LYN;IGF1R;FGR;JAK3;FGFR3;SRPK2;RIOK3;STK16;EPHA2;EPHA1;BLK;ITK;MELK;DDR2;KDR;FYN;JAK2;FGFR2;FGFR1;MET;INSR;MAP3K11;SRC;KIT
CC1=CC(NC2=NC(SC3=CC=C(C=C3)NC(C4CC4)=O)=NC(N5CCN(CC5)C)=C2)=NN1
464.21
C23H28N8OS
10uM
PARP1
PARP2;TNKS;TNKS2
FC1=CC2=C3C(CCNC2=O)=C(C4=CC=C(CNC)C=C4)NC3=C1.O=S(C[C@@]5(C6(C)C)C(C[C@@]6([H])CC5)=O)(O)=O
555.22
C29H34FN3O5S
10uM
NAMPT
PIK3CA
O=C(/C=C/c1cccnc1)NCCCCC1CCN(CC1)C(=O)c1ccccc1
391.23
C24H29N3O2
1uM
PTGS2
NA
OC(=O)C(c1ccc2c(c1)CC(=O)c1c(S2)cccc1)C
298.07
C17H14O3S
10uM
GLP1R
NA
Clc1cc2nc(c(nc2cc1Cl)NC(C)(C)C)S(=O)(=O)C
347.03
C13H15Cl2N3O2S
1uM
PDGFRB
PDGFRA;KIT;KDR
NC1CCN(C2=C3N=C(C=CC3=CC=C2)N4C=NC5=CC(OCCOC)=CC=C54)CC1
417.22
C24H27N5O2
1uM
PSMB5
NA
O=C([C@@H](NC([C@H]([C@@H](C)O)NC([C@@H](NC([C@H]([C@@H](C)CC)N(C)C(C)=O)=O)[C@@H](C)CC)=O)=O)CC(C)C)[C@@]1(C)CO1
554.37
C28H50N4O7
1uM
PTK2
NA
CNC(=O)c1ccc(cc1)Nc1ncc(c(n1)NCc1nccnc1N(S(=O)(=O)C)C)C(F)(F)F
510.14
C20H21F3N8O3S
1uM
KIF11
NA
O=C1N(CC2=CC=CC=C2)C([C@@H](C(C)C)N(CCCN)C(C3=CC=C(C)C=C3)=O)=NC4=CC(Cl)=CC=C14
516.23
C30H33ClN4O2
1uM
MDM2
TP53
O=C(O)C1=CC(OC)=C(NC([C@H]2[C@H](C3=C(F)C(Cl)=CC=C3)[C@](C4=CC=C(Cl)C=C4F)(C#N)[C@H](CC(C)(C)C)N2)=O)C=C1
615.15
C31H29Cl2F2N3O4
1uM
HSP90AA1
HSP90B1
C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(C(=O)O1)c(O)cc(c2Cl)O
364.07
C18H17ClO6
1uM
ALK
INSR;IGF1R;TSSK1B;FLT3;AURKA;FGFR2;ROS1;RET;FGFR3;LCK;JAK2;LYN;EGFR;FGFR4;CYP3A4
CC(C)OC1=CC(C2CCNCC2)=C(C)C=C1NC3=NC=C(Cl)C(NC4=CC=CC=C4S(=O)(C(C)C)=O)=N3
557.22
C28H36ClN5O3S
1uM
CHEK1
CHEK2
O=C(N[C@@H]1CNCCC1)C2=C(C=C(S2)C3=CC=CC(F)=C3)NC(N)=O
362.12
C17H19FN4O2S
1uM
HTR5A
NA
CN(C)CCN(CC1=CC=C(C=C1)C2=CC=C(CNCCC3=CC=CC=C3)C=C2)C(=O)CCC4CCCC4
511.36
C34H45N3O
1uM
HPRT1
NA
S=C1NC=NC2=C1NC=N2
152.02
C5H4N4S
1uM
MET
ALK;ROS1;NTRK1;NTRK2;AXL;MERTK;GOPC;NTRK3;LCK;SLC34A2;IRAK1;JAK2;MST1R;EML4;CSF1R;MAP3K12;ABL1;MAP3K13;JAK1;AURKA;EPHA4;SRC;EPHA3;EPHB4;FLT3;TYRO3;INSR;KIT;IGF1R
ClC1=C(F)C=CC(Cl)=C1[C@H](OC2=CC(C3=CN(N=C3)C4CCNCC4)=CN=C2N)C
449.12
C21H22Cl2FN5O
1uM
SSTR4
SSTR2;GBA
ClC1=C(Cl)C=C(CN(CCCNC(=S)NCCCC2=C[NH]C=N2)C3=NC=C(Br)C=C3)C=C1
554.04
C22H25BrCl2N6S
1uM
PIM1
HASPIN;FLT3;PIM3;PIM2;KCNH2
CN1CCC(CC1)CNC2=NN3C(C=C2)=NC=C3C4=CC=CC(OC(F)(F)F)=C4
405.18
C20H22F3N5O
1uM
ATP6V1H
NA
C[C@H]([C@](O[C@@H]1C(C)C)(C[C@@H](O)[C@@H]1C)O)[C@H](O)[C@@H]([C@](OC(/C(OC)=C/C(C)=C\[C@@H](C)[C@@H](O)[C@@H](C)C2)=O)([H])[C@H](/C=C/C=C2\C)OC)C
622.41
C35H58O9
1uM
BMPR1A
ACVRL1;BMPR1B;KDR;ACVR1;TGFBR1
N1CCN(CC1)c1ccc(cc1)c1cnc2n(c1)ncc2c1ccnc2c1cccc2
406.19
C25H22N6
1uM
CHEK2
NA
[H]Cl.COC1=C(OC)C=C(C(N[C@H]2[C@H](C(C)(C)O)CNC2)=NC(C3=C(O)C=CC(F)=C3)=N4)C4=C1
478.18
C23H28ClFN4O4
1uM
KCNH2
NA
CCCCC1=C(C2=C(C=CC(NS(C)(=O)=O)=C2)O1)C(C3=CC=C(C=C3)OCCCN(CCCC)CCCC)=O
556.3
C31H44N2O5S
1uM
MTTP
NA
O=C(c1ccccc1c1ccc(cc1)C(F)(F)F)NC1CCN(CC1)CCCCC1(C(=O)NCC(F)(F)F)c2ccccc2c2c1cccc2
693.28
C39H37F6N3O2
1uM
STAT3
NA
O=C(O)C1=CC=C(N(CC2=CC=C(C3CCCCC3)C=C2)C(CN(C)S(=O)(C4=C(F)C(F)=C(F)C(F)=C4F)=O)=O)C=C1
610.16
C29H27F5N2O5S
1uM
PDPK1
NA
O=C(CN)NC1=CC=C(C=C1)N2N=C(C=C2C3=CC=C4C5=CC=CC=C5C=CC4=C3)C(F)(F)F
460.15
C26H19F3N4O
1uM
TRPM8
NA
[H]Cl.O=C1N(CCN)C2=CC(OC)=CC=C2N1C([C@H]3[C@H](C(C)C)CC[C@@H](C)C3)=O
409.21
C21H32ClN3O3
1uM
IL1B
NA
O=C1C=C2C(=CC=C3[C@@]2(C)CC[C@@]2([C@]3(C)CC[C@@]3([C@H]2C[C@@](C)(CC3)C(=O)O)C)C)C(=C1O)C
450.28
C29H38O4
1uM
EHMT2
NA
COC1=CC2=C(NC3CCN(CC4CCCCC4)CC3)N=C(N5CCN(C(C)C)CCC5)N=C2C=C1OCCCN6CCCCC6
635.49
C37H61N7O2
1uM
DHFR
GSTP1
CCC1=C(C(=NC(=N1)N)N)C2=CC=C(Cl)C=C2
248.08
C12H13ClN4
1uM
PLA2G7
NA
CCN(CCN(C(=O)Cn1c(SCc2ccc(cc2)F)nc(=O)c2c1CCC2)Cc1ccc(cc1)c1ccc(cc1)C(F)(F)F)CC
666.26
C36H38F4N4O2S
1uM
ABL1
DDR2;BCR;KIT;PDGFRB;DDR1;ABL2;PDGFRA;MAP3K20;MAPK11;EPHA8;EPHA3;LCK;RAF1;CYP2C8;EPHA2;EPHA4;MAPK8;EPHB2;MAPK14;LYN;EPHB4;CSF1R;BRAF
O=C(NC1=CC(C(F)(F)F)=CC(N2C=NC(C)=C2)=C1)C3=CC=C(C)C(NC4=NC=CC(C5=CC=CN=C5)=N4)=C3
529.18
C28H22F3N7O
1uM
=avg(sum(
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