| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003241
BDB003241
|
BDBM61662
CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12
|
C17H17N3O3S 343.408000 |
UALXMGIRZSPAGD-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61662; PubChem:CID798725
|
Local ready
Direct docking supported
|
|
E3L003242
BDB003242
|
BDBM61666
Cc1cc(C)c2c(=O)c(/C=C3\NC(=S)NC3=O)coc2c1
|
C15H12N2O3S 300.339000 |
IEPWWXLQPUVRHV-YHYXMXQVSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61666; PubChem:CID1818305
|
Local ready
Direct docking supported
|
|
E3L003243
BDB003243
|
BDBM61723
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)C[C@@H](C(N)=O)N(C(=O)CCCCC)C3)c1
|
C23H30N4O4 426.517000 |
IWRBOSDNUAHIGX-HSTJUUNISA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61723; PubChem:CID16745484
|
Local ready
Direct docking supported
|
|
E3L003244
BDB003244
|
BDBM61728
O=C(Nc1nc2ccsc2c(=O)s1)c1ccco1
|
C11H6N2O3S2 278.314000 |
VFHPAWYPWGGPTF-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61728; PubChem:CID2810061
|
Local ready
Direct docking supported
|
|
E3L003245
BDB003245
|
BDBM61754
O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1ccco1
|
C14H14BrNO4S 372.240000 |
SYXJJFGYUDWBDT-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM61754; PubChem:CID4253422
|
Local ready
Direct docking supported
|
|
E3L003246
BDB003246
|
1H-Pyrazole, 3,5-dimethyl-1-(4-pyridinylcarbonyl)-
Cc1cc(C)n(C(=O)c2ccncc2)n1
|
C11H11N3O 201.229000 |
VXESXFNPRURVHH-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM62527; PubChem:CID645025
|
Local ready
Direct docking supported
|
|
E3L003247
BDB003247
|
2-Methyl-6-(naphthalen-1-ylamino)oxane-3,4,5-triol
CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
|
C16H19NO4 289.331000 |
RENWKKKXUKFSRO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM62871; PubChem:CID2832907
|
Local ready
Direct docking supported
|
|
E3L003248
BDB003248
|
BDBM63209
O=c1oc2ccccc2cc1-c1cn(-c2ccccc2)c(=S)[nH]1
|
C18H12N2O2S 320.373000 |
PQLXBUALUZFSAJ-UHFFFAOYSA-N | O15151, Q99728 | Protein Mdm4, BRCA1-associated RING domain protein 1 |
BindingDB, PubChem
BindingDB:BDBM63209; PubChem:CID3380837
|
Local ready
Direct docking supported
|
|
E3L003249
BDB003249
|
BDBM63871
N#Cc1c(N)n(-c2ccccc2N)c2nc3ccccc3nc12
|
C17H12N6 300.325000 |
VGUVODKHAXZFSU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM63871; PubChem:CID750480
|
Local ready
Direct docking supported
|
|
E3L003250
BDB003250
|
BDBM64030
CC1(C)Cc2c(nn(-c3ccccc3)c(=N)c2C#N)CO1
|
C16H16N4O 280.331000 |
LDXKPZVGFCDGPH-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64030; PubChem:CID15262764
|
Local ready
Direct docking supported
|
|
E3L003251
BDB003251
|
BDBM64759
Cc1ccc2nc(N3C(=O)C(=O)C(C(=O)c4ccco4)C3c3ccc(C)o3)sc2c1
|
C22H16N2O5S 420.446000 |
DBQKPIMGHJRMHE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM64759; PubChem:CID91897575
|
Local ready
Direct docking supported
|
|
E3L003252
BDB003252
|
BDBM64780
Cc1ccc(C(=O)NNc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
|
C20H26N6O 366.469000 |
AVHYTXJNAXLTFO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64780; PubChem:CID1109408
|
Local ready
Direct docking supported
|
|
E3L003253
BDB003253
|
BDBM64781
Oc1ccc(CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)cc1
|
C19H24N6O 352.442000 |
KAACMQXCCLGJPW-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64781; PubChem:CID91897576
|
Local ready
Direct docking supported
|
|
E3L003254
BDB003254
|
BDBM64782
Oc1ccccc1CN=Nc1cc(N2CCCC2)nc(N2CCCC2)n1
|
C19H24N6O 352.442000 |
JXFIFHFQPYKXLG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64782; PubChem:CID91897577
|
Local ready
Direct docking supported
|
|
E3L003255
BDB003255
|
BDBM64784
Oc1ccc(CN=Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c(O)c1
|
C19H24N6O4 400.439000 |
AMCMFWIDXWPRTG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64784; PubChem:CID91429170
|
Local ready
Direct docking supported
|
|
E3L003256
BDB003256
|
BDBM64785
Oc1cccc(CN=Nc2cc(N3CCCC3)nc(N3CCCC3)n2)c1
|
C19H24N6O 352.442000 |
HYWJTLYOGDKCED-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64785; PubChem:CID91897578
|
Local ready
Direct docking supported
|
|
E3L003257
BDB003257
|
BDBM64786
COc1ccc(NC(=S)Nc2ccc3nsnc3c2)cc1
|
C14H12N4OS2 316.411000 |
FXZNHTKAOTUVHO-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64786; PubChem:CID753169
|
Local ready
Direct docking supported
|
|
E3L003258
BDB003258
|
2-(2,4-Dioxopentan-3-yl)-2-hydroxyindene-1,3-dione
CC(=O)C(C(C)=O)C1(O)C(=O)c2ccccc2C1=O
|
C14H12O5 260.245000 |
UNWNYZDNRAAMSU-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64787; PubChem:CID766079
|
Local ready
Direct docking supported
|
|
E3L003259
BDB003259
|
BDBM64790
CCOC(=O)C1=C(C)OC2(O)c3ccccc3C(=O)C12O
|
C15H14O6 290.271000 |
UGGKRXKFQMVAEG-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64790; PubChem:CID2828330
|
Local ready
Direct docking supported
|
|
E3L003260
BDB003260
|
BDBM64792
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCCCO)C=C2C1=O
|
C22H27NO7 417.458000 |
XXIWCJHYACCRFZ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM64792; PubChem:CID16745608
|
Local ready
Direct docking supported
|