| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043061
BDB043061
|
BDBM50000010
CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C33H31N3O5 549.627000 |
IQDMENHHEMPWSG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000010; PubChem:CID44364499
|
Local ready
Direct docking supported
|
|
E3L043062
BDB043062
|
BDBM50000011
O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1Cc1ccccc1
|
C29H27NO3 437.539000 |
RIXBXFGNPMGJKG-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000011; PubChem:CID44364622
|
Local ready
Direct docking supported
|
|
E3L043063
BDB043063
|
BDBM50000012
CN(CCOc1ccc(CC(Nc2ccccc2Oc2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
|
C31H29N3O5 523.589000 |
DSCSQRAZCPUSAT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000012; PubChem:CID10577962
|
Local ready
Direct docking supported
|
|
E3L043064
BDB043064
|
O-benzyl-L-tyrosine
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O
|
C16H17NO3 271.316000 |
KAFHLONDOVSENM-HNNXBMFYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000013; PubChem:CID725701
|
Local ready
Direct docking supported
|
|
E3L043065
BDB043065
|
BDBM50000014
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)Nc1ccccc1
|
C30H28N2O4 480.564000 |
KUQRSDIAADGLGK-NDEPHWFRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000014; PubChem:CID44364634
|
Local ready
Direct docking supported
|
|
E3L043066
BDB043066
|
BDBM50000015
CN(CCOc1ccc(CC(Nc2ccccc2C(O)c2ccccc2)C(=O)O)cc1)c1ccccn1
|
C30H31N3O4 497.595000 |
YQQOGGKMMZWNAV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000015; PubChem:CID44364423
|
Local ready
Direct docking supported
|
|
E3L043067
BDB043067
|
BDBM50000016
O=C(c1ccccc1)c1cccc(N[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)O)c1
|
C29H25NO4 451.522000 |
WJNQBFIXWQMTNI-MHZLTWQESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000016; PubChem:CID44364377
|
Local ready
Direct docking supported
|
|
E3L043068
BDB043068
|
BDBM50000017
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)Nc1ccccc1C(=O)OCc1ccccc1
|
C31H29NO5 495.575000 |
JYPMGYWHDQWXJJ-LJAQVGFWSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50000017; PubChem:CID44364633
|
Local ready
Direct docking supported
|
|
E3L043069
BDB043069
|
BDBM50000018
COC(=O)[C@H](Cc1ccc(OCc2ccccc2)cc1)/N=C(\C)C1=C(O)c2ccccc2CC1
|
C29H29NO4 455.554000 |
WIUHPUGUXSHIOP-QNBFMKIVSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50000018
|
Local ready
Direct docking supported
|
|
E3L043070
BDB043070
|
6-Imidazol-1-yl-3,4-dihydro-1H-quinolin-2-one
O=C1CCc2cc(-n3ccnc3)ccc2N1
|
C12H11N3O 213.240000 |
BDMKPUAZENLRDY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM50000309; PubChem:CID13885278
|
Local ready
Direct docking supported
|
|
E3L043071
BDB043071
|
BDBM50000549
CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1
|
C44H66N8O8 835.060000 |
KSMBSRZMXQIWHU-GSJMOOKZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50000549
|
Local ready
Direct docking supported
|
|
E3L043072
BDB043072
|
BDBM50001076
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4cccc(C)c4)C[C@H]3N2C1=O
|
C25H38N4O2 426.605000 |
AVBZMSWFBFFJGJ-JELQSWKKSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50001076; PubChem:CID90654375
|
Local ready
Direct docking supported
|
|
E3L043073
BDB043073
|
BDBM50001077
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(C)cc4)C[C@H]3N2C1=O
|
C25H38N4O2 426.605000 |
AQFHGNZPIGAZGV-JELQSWKKSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50001077; PubChem:CID90654376
|
Local ready
Direct docking supported
|
|
E3L043074
BDB043074
|
BDBM50001078
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(Cl)cc4)C[C@H]3N2C1=O
|
C24H35ClN4O2 447.023000 |
DOFKWVQMIJUKCV-ORDMVQLLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50001078; PubChem:CID90654377
|
Local ready
Direct docking supported
|
|
E3L043075
BDB043075
|
BDBM50001079
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(Cl)c(Cl)c4)C[C@H]3N2C1=O
|
C24H34Cl2N4O2 481.468000 |
FAPNSKGNSXRVLR-CBJPPDNLSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50001079; PubChem:CID90654378
|
Local ready
Direct docking supported
|
|
E3L043076
BDB043076
|
BDBM50001080
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc([N+](=O)[O-])cc4)C[C@H]3N2C1=O
|
C24H35N5O4 457.575000 |
AQTFKDCKLOSLNK-ORDMVQLLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50001080; PubChem:CID90654379
|
Local ready
Direct docking supported
|
|
E3L043077
BDB043077
|
BDBM50001081
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(C(F)(F)F)cc4)C[C@H]3N2C1=O
|
C25H35F3N4O2 480.575000 |
CBUKBSAVVSVBEX-ORDMVQLLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50001081; PubChem:CID90654380
|
Local ready
Direct docking supported
|
|
E3L043078
BDB043078
|
BDBM50001082
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CC(C)c4ccccc4)C[C@H]3N2C1=O
|
C25H38N4O2 426.605000 |
YGASRYBYIQPPRS-CZVIXGHVSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50001082; PubChem:CID90654381
|
Local ready
Direct docking supported
|
|
E3L043079
BDB043079
|
BDBM50001083
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4c[nH]c5ccccc45)C[C@H]3N2C1=O
|
C26H37N5O2 451.615000 |
NXKKLSUXQLAFFE-SOFANIRLSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50001083; PubChem:CID90654382
|
Local ready
Direct docking supported
|
|
E3L043080
BDB043080
|
BDBM50001084
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4scnc4C)C[C@H]3N2C1=O
|
C22H35N5O2S 433.622000 |
XCLZAVZQVFRUNI-XCDZQEORSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50001084; PubChem:CID90654383
|
Local ready
Direct docking supported
|