| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056701
BDB056701
|
Tolinapant
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCOC[C@H]2C)CN1
|
C30H42FN5O3 539.696000 |
YCXOHEXZVKOGEV-DNRQZRRGSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50450046; PubChem:CID118169620
|
Local ready
Direct docking supported
|
|
E3L056702
BDB056702
|
BDBM50450048
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cc(=O)n(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C30H42FN5O3 539.696000 |
SGIFHWXZANTKIJ-NMOFPLQQSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50450048
|
Local ready
Direct docking supported
|
|
E3L056703
BDB056703
|
BDBM50450049
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nc(CO)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C31H44FN5O3 553.723000 |
DRKMWYDJBBRCCQ-PIXQIBFHSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50450049
|
Local ready
Direct docking supported
|
|
E3L056704
BDB056704
|
BDBM50450050
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3cc(C#N)ccc3C2=O)CN1
|
C32H33F2N7O2 585.659000 |
MPWIGZHHNCNVOO-KBMIEXCESA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50450050
|
Local ready
Direct docking supported
|
|
E3L056705
BDB056705
|
BDBM50450051
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3ccc(F)cc3C2=O)CN1
|
C31H33F3N6O2 578.639000 |
ROXCMZCRKWPGCG-HOYKHHGWSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50450051
|
Local ready
Direct docking supported
|
|
E3L056706
BDB056706
|
BDBM50450052
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4)cc32)[C@@H](CN2Cc3ccccc3C2=O)CN1
|
C31H35FN6O2 542.659000 |
ZJOWQMMGXYFDHJ-CJFMBICVSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50450052; PubChem:CID73673640
|
Local ready
Direct docking supported
|
|
E3L056707
BDB056707
|
BDBM50450053
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2Cc3ccccc3C2=O)CN1
|
C32H36FN5O2 541.671000 |
XYDGOXJJDFKAAT-QFQXNSOFSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50450053
|
Local ready
Direct docking supported
|
|
E3L056708
BDB056708
|
BDBM50450054
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4O)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C30H42FN5O3 539.696000 |
WKTKCHAHTCBUJE-QTDDQOEGSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50450054
|
Local ready
Direct docking supported
|
|
E3L056709
BDB056709
|
BDBM50450056
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc([C@@H](O)c4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C30H42FN5O3 539.696000 |
MVQVBQBVVYPBCQ-DTRJGPSISA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50450056
|
Local ready
Direct docking supported
|
|
E3L056710
BDB056710
|
BDBM50450057
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc([C@H](O)c4ccc(F)cc4)cc32)[C@@H](CN2[C@H](C)COC[C@H]2C)CN1
|
C30H42FN5O3 539.696000 |
MVQVBQBVVYPBCQ-OIXBUDLPSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50450057
|
Local ready
Direct docking supported
|
|
E3L056711
BDB056711
|
BDBM50450058
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3nnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2Cc3ccc(C#N)cc3C2=O)CN1
|
C32H33F2N7O2 585.659000 |
GGSBCIHJHQMJEB-KBMIEXCESA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50450058
|
Local ready
Direct docking supported
|
|
E3L056712
BDB056712
|
BDBM50450105
Cc1cccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)n1
|
C22H19N3O4 389.411000 |
BSHWVICCIKEQDT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450105; PubChem:CID145956749
|
Local ready
Direct docking supported
|
|
E3L056713
BDB056713
|
BDBM50450106
Cc1cccnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C22H19N3O4 389.411000 |
AFJDADLIMRSOLW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450106; PubChem:CID145959494
|
Local ready
Direct docking supported
|
|
E3L056714
BDB056714
|
BDBM50450107
Cc1ccc(C)c(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)n1
|
C23H21N3O4 403.438000 |
CNBUIZFLKLVXDH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450107; PubChem:CID145960072
|
Local ready
Direct docking supported
|
|
E3L056715
BDB056715
|
BDBM50450108
Cc1cc(F)cnc1Oc1ccc2nc(COc3cccc(C(=O)O)c3)n(C)c2c1
|
C22H18FN3O4 407.401000 |
JYAHENFLGWPGJD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450108; PubChem:CID46908818
|
Local ready
Direct docking supported
|
|
E3L056716
BDB056716
|
BDBM50450109
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3F)cc21
|
C21H16FN3O4 393.374000 |
PAAVMPPMNSWSSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450109; PubChem:CID145956984
|
Local ready
Direct docking supported
|
|
E3L056717
BDB056717
|
BDBM50450110
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccc(F)cn3)cc21
|
C21H16FN3O4 393.374000 |
CGGZHNVEWJZCQG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450110; PubChem:CID145949449
|
Local ready
Direct docking supported
|
|
E3L056718
BDB056718
|
BDBM50450111
Cc1ccnc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)c1
|
C22H19N3O4 389.411000 |
MEFIOUNANIOGPG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450111; PubChem:CID145973176
|
Local ready
Direct docking supported
|
|
E3L056719
BDB056719
|
BDBM50450112
Cc1ccc(Oc2ccc3nc(COc4cccc(C(=O)O)c4)n(C)c3c2)nc1
|
C22H19N3O4 389.411000 |
BQXTYXXMADNXBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50450112; PubChem:CID145952859
|
Local ready
Direct docking supported
|
|
E3L056720
BDB056720
|
BDBM50450113
Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ncccc3Cl)cc21
|
C21H16ClN3O4 409.829000 |
MIHFZZGBSUWEDE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50450113; PubChem:CID46908722
|
Local ready
Direct docking supported
|