| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L002961
BDB002961
|
BDBM51875
CCOC(=O)C1C(c2ccccc2)=NC(N)=NC1c1ccc(OCc2ccc(C(=O)OC)cc2)cc1
|
C28H27N3O5 485.540000 |
HUYGYZDWZWKSOH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51875; PubChem:CID91896993
|
Local ready
Direct docking supported
|
|
E3L002962
BDB002962
|
BDBM51882
CCN(CC)CCOC(=O)c1ccc(N=CC(C#N)c2nc(-c3ccc(OC)c(OC)c3)cs2)cc1
|
C27H30N4O4S 506.628000 |
QOQKMEFETTXDDQ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51882; PubChem:CID91896995
|
Local ready
Direct docking supported
|
|
E3L002963
BDB002963
|
BDBM51883
CCN(CC)CCOC(=O)c1ccc(N=CC(C#N)c2nc(-c3ccc4c(c3)OCO4)cs2)cc1
|
C26H26N4O4S 490.585000 |
JHMFQRZJOCLLQX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51883; PubChem:CID91896996
|
Local ready
Direct docking supported
|
|
E3L002964
BDB002964
|
BDBM51886
CCOC(=O)C1C(c2ccccc2)=NC(N)=NC1c1ccc(OCc2ccc(Cl)cc2)c(OC)c1
|
C27H26ClN3O4 491.975000 |
PMNPXXJWQCKQNM-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51886; PubChem:CID91896998
|
Local ready
Direct docking supported
|
|
E3L002965
BDB002965
|
BDBM51900
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(C)c2)[n+](C)c2ccccc21
|
C28H39N2O3+ 451.631000 |
OLBHSOXHEMBKTO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51900; PubChem:CID3092514
|
Local ready
Direct docking supported
|
|
E3L002966
BDB002966
|
BDBM51901
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2C)[n+](C)c2ccccc21
|
C28H39N2O3+ 451.631000 |
SNXRLNOWMDKBQR-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51901; PubChem:CID3092517
|
Local ready
Direct docking supported
|
|
E3L002967
BDB002967
|
BDBM51903
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(OC)cc2)[n+](C)c2ccccc21
|
C28H39N2O4+ 467.630000 |
YNPKYHWFTVWXMK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51903; PubChem:CID3092507
|
Local ready
Direct docking supported
|
|
E3L002968
BDB002968
|
BDBM51904
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc21
|
C28H39N2O4+ 467.630000 |
NAIMWHFIPOPPLX-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51904; PubChem:CID3091252
|
Local ready
Direct docking supported
|
|
E3L002969
BDB002969
|
BDBM51905
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc21
|
C28H39N2O3+ 451.631000 |
GYPJLVSMXMRBEE-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51905; PubChem:CID3092515
|
Local ready
Direct docking supported
|
|
E3L002970
BDB002970
|
BDBM51909
CCCCCCCCCCOC(=O)Cn1c(COc2cccc(OC)c2)[n+](C)c2ccccc21
|
C28H39N2O4+ 467.630000 |
VZAABTACONNWBS-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51909; PubChem:CID4318511
|
Local ready
Direct docking supported
|
|
E3L002971
BDB002971
|
BDBM51912
CCCCCCCCCC[N+](C)(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
|
C28H39ClNS+ 457.147000 |
WKPFAGPWDYWJJR-JLPGSUDCSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51912; PubChem:CID1846364
|
Local ready
Direct docking supported
|
|
E3L002972
BDB002972
|
BDBM51914
CCN(CC)CCOC(=O)c1ccc(N=CC(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1
|
C28H26N4O4S 514.607000 |
HUKIWUFHEWGTSH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51914; PubChem:CID91897002
|
Local ready
Direct docking supported
|
|
E3L002973
BDB002973
|
BDBM51917
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc21
|
C27H37N2O3+ 437.604000 |
FENPNARKWLPXNC-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51917; PubChem:CID3092506
|
Local ready
Direct docking supported
|
|
E3L002974
BDB002974
|
BDBM51918
CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CNCCN(C)C
|
C25H29N3O3S 451.592000 |
QYTLGHWFFIOPDG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51918; PubChem:CID2411934
|
Local ready
Direct docking supported
|
|
E3L002975
BDB002975
|
BDBM51929
CC[C@@H](C)[C@H](CNC)NC[C@@H](Cc1cccc2ccccc12)NCCc1cccc(C(F)(F)F)c1
|
C29H38F3N3 485.638000 |
ZFKQBJHCEJBGQT-RZLJKOCPSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM51929; PubChem:CID24792586
|
Local ready
Direct docking supported
|
|
E3L002976
BDB002976
|
BDBM52507
Cc1cc(=O)n2[nH]c(N)c(N=Nc3ccccc3)c2n1
|
C13H12N6O 268.280000 |
FTXNLGYWHZFNMN-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM52507; PubChem:CID135401420
|
Local ready
Direct docking supported
|
|
E3L002977
BDB002977
|
N-[2-(2-cyano-4-nitroanilino)ethyl]acetamide
CC(=O)NCCNc1ccc([N+](=O)[O-])cc1C#N
|
C11H12N4O3 248.242000 |
SVGLHBXJLVCYTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM52755; PubChem:CID4841766
|
Local ready
Direct docking supported
|
|
E3L002978
BDB002978
|
BDBM52814
CCCC[n+]1ccn(C2=C([N-]S(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)c1
|
C23H20ClN3O4S 469.950000 |
ZARDQFVCGYZNMP-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM52814; PubChem:CID1636347
|
Local ready
Direct docking supported
|
|
E3L002979
BDB002979
|
BDBM52817
O=C(O)CC(C(=O)O)N1C(=O)/C(=C/C=C/c2ccco2)SC1=S
|
C14H11NO6S2 353.377000 |
PLHJCQICLZZWLN-MDDLVQQVSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM52817; PubChem:CID5994065
|
Local ready
Direct docking supported
|
|
E3L002980
BDB002980
|
BDBM52886
C=CCN1C=C2C(=O)C(C)(OC(=O)CCC(=O)OC)C(=O)C(Br)=C2C=C1c1ccc(OC)cc1
|
C25H24BrNO7 530.371000 |
LETGZFJZWCNQCK-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM52886; PubChem:CID16745648
|
Local ready
Direct docking supported
|