| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003461
BDB003461
|
BDBM73140
[2H]C([2H])([2H])C([2H])(n1cc(C(F)(F)F)nc1C12CCC(Cn3ncc4cnc(-c5c(OC(F)F)ncnc5C5CC5)c(F)c43)(CC1)CC2)C([2H])([2H])[2H]
|
C30H31F6N7O 626.656712 |
IVMCFHYCLWORCN-JXVLEPIESA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73140
|
Local ready
Direct docking supported
|
|
E3L003462
BDB003462
|
BDBM73141
C#CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC)ncnc4C4CC4)c(F)c32)cc1
|
C28H21F4N7O 547.516000 |
AIAUXCUJGZGYJN-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73141; PubChem:CID178289438
|
Local ready
Direct docking supported
|
|
E3L003463
BDB003463
|
BDBM73142
C#CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC(F)F)ncnc4C4CC4)c(F)c32)cc1
|
C28H19F6N7O 583.496000 |
XNJLTGZJWGVGJM-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73142; PubChem:CID178289439
|
Local ready
Direct docking supported
|
|
E3L003464
BDB003464
|
BDBM73143
CC#CCn1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC(F)F)ncnc4C4CC4)c(F)c32)cc1
|
C29H21F6N7O 597.523000 |
LUEQMDJDMQBRDN-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73143; PubChem:CID178289440
|
Local ready
Direct docking supported
|
|
E3L003465
BDB003465
|
BDBM73144
CC(C)n1cc(C(F)(F)F)nc1-c1ccc(Cn2ncc3cnc(-c4c(OC(F)F)ncnc4C4CC4)c(F)c32)cc1
|
C28H23F6N7O 587.528000 |
XQSGPFZPIJOSTK-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB, PubChem
BindingDB:BDBM73144; PubChem:CID178289441
|
Local ready
Direct docking supported
|
|
E3L003466
BDB003466
|
BDBM73146
COc1ncnc(C2CC2)c1-c1ncc2cnn(Cc3ccc(-c4nc(C(F)(F)F)c5n4CC4(CC4)C5)cc3)c2c1F
|
C30H25F4N7O 575.570000 |
CGMISVZGCLKKTB-UHFFFAOYSA-N | Q8TAF3 | Ubiquitin carboxyl-terminal hydrolase 1 |
BindingDB
BindingDB:BDBM73146
|
Local ready
Direct docking supported
|
|
E3L003467
BDB003467
|
3,3'-Diethylthiacarbocyanine
CCN1/C(=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21
|
C21H21N2S2+ 365.547000 |
JGLWGLKNDHZFAP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM75309; PubChem:CID13487
|
Local ready
Direct docking supported
|
|
E3L003468
BDB003468
|
BDBM76163
Cc1cc(O)c2c(c1O)C(=O)[C@]13C(=C2O)C(=O)[C@@H]2[C@@H](O)[C@H]1[C@@H]1[C@H](O)[C@H]3C(=O)C3=C(O)c4c(O)cc(C)c(O)c4C(=O)[C@]312
|
C30H22O12 574.494000 |
FAZDYVMEXQHRLI-VPRSFBPHSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM76163
|
Local ready
Direct docking supported
|
|
E3L003469
BDB003469
|
Calmidazolium
Clc1ccc(C(c2ccc(Cl)cc2)n2cc[n+](CC(OCc3ccc(Cl)cc3Cl)c3ccc(Cl)cc3Cl)c2)cc1
|
C31H23Cl6N2O+ 652.256000 |
CTKNMSVWMRRCPW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76238; PubChem:CID2531
|
Local ready
Direct docking supported
|
|
E3L003470
BDB003470
|
BDBM76347
CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
|
C19H23N5O2 353.426000 |
YVLXJJPFNLPGOS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76347; PubChem:CID662264
|
Local ready
Direct docking supported
|
|
E3L003471
BDB003471
|
BDBM76505
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)n(CCCOC)c2nc3ccccc3nc12
|
C23H24N4O5S 468.535000 |
DRACJKWGTDYKRU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76505; PubChem:CID2334194
|
Local ready
Direct docking supported
|
|
E3L003472
BDB003472
|
3-Benzoylnaphtho[2,3-b]furan-4,9-dione
O=C(c1ccccc1)c1coc2c1C(=O)c1ccccc1C2=O
|
C19H10O4 302.285000 |
RIGQMNQRBFVSGV-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76521; PubChem:CID878619
|
Local ready
Direct docking supported
|
|
E3L003473
BDB003473
|
5-Bromo-quinolin-8-ylamine
Nc1ccc(Br)c2cccnc12
|
C9H7BrN2 223.073000 |
GEABITRRZOHARP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76536; PubChem:CID613829
|
Local ready
Direct docking supported
|
|
E3L003474
BDB003474
|
BDBM76589
COc1ccccc1N(N=C1Sc2ccccc2C1=O)C(C)=O
|
C17H14N2O3S 326.377000 |
QYEYTJAHIFEBPH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76589; PubChem:CID759940
|
Local ready
Direct docking supported
|
|
E3L003475
BDB003475
|
BDBM76715
O=[N+]([O-])c1cc2c(cc1Cc1[nH]c(=S)[nH]c1O)OCO2
|
C11H9N3O5S 295.276000 |
CMDLQOLIFODTCU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB
BindingDB:BDBM76715
|
Local ready
Direct docking supported
|
|
E3L003476
BDB003476
|
4-(5-Chloro-2,4-dimethoxyanilino)naphthalene-1,2-dione
COc1cc(OC)c(NC2=CC(=O)C(=O)c3ccccc32)cc1Cl
|
C18H14ClNO4 343.766000 |
OVQLGKCBWIQXQU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76717; PubChem:CID671256
|
Local ready
Direct docking supported
|
|
E3L003477
BDB003477
|
BDBM76779
CC(C)n1cnc2c(NCc3ccccc3)cc(OCC3CCN(C)CC3)cc21
|
C24H32N4O 392.547000 |
WJWHRNMNNGRXHH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76779; PubChem:CID44143054
|
Local ready
Direct docking supported
|
|
E3L003478
BDB003478
|
BDBM76780
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1
|
C22H29N3O2 367.493000 |
ZUOWQBNCRQTFJD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM76780; PubChem:CID44143084
|
Local ready
Direct docking supported
|
|
E3L003479
BDB003479
|
BDBM77564
N#Cc1ccc(C(=O)N2CC(O)C2)c(Nc2ccc(I)cc2F)c1
|
C17H13FIN3O2 437.212000 |
AUQMGRFGIZWQIF-UHFFFAOYSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM77564; PubChem:CID147015305
|
Local ready
Direct docking supported
|
|
E3L003480
BDB003480
|
BDBM77569
CC(=O)c1sc(Nc2ccc(I)cc2F)c(C(=O)NC[C@@H](O)CO)c1C
|
C17H18FIN2O4S 492.310000 |
BPPYLRGOGWIPQT-LLVKDONJSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM77569; PubChem:CID147127847
|
Local ready
Direct docking supported
|