| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008761
BDB008761
|
BDBM213398
CN[C@H](C)C(=O)Nc1cc(-c2ccccc2)cc(C#Cc2ccccc2)n1
|
C23H21N3O 355.441000 |
DAVNQHGJTKFWQY-QGZVFWFLSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213398; PubChem:CID124201798
|
Local ready
Direct docking supported
|
|
E3L008762
BDB008762
|
BDBM213399
CN[C@H](C)C(=O)Nc1cc(-c2cccnc2)cc(C#Cc2ccccc2)n1
|
C22H20N4O 356.429000 |
SLKMQNYWZPFZQO-MRXNPFEDSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213399; PubChem:CID124201799
|
Local ready
Direct docking supported
|
|
E3L008763
BDB008763
|
BDBM213400
CNC(C)C(=O)Nc1cc(-c2ccncc2)c(-c2cncnc2)c(C#Cc2ccccc2)n1
|
C26H22N6O 434.503000 |
GZIWFKGJVGGFDO-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213400; PubChem:CID117903526
|
Local ready
Direct docking supported
|
|
E3L008764
BDB008764
|
BDBM213401
CNC(C)C(=O)Nc1cc(-c2cccnc2)c(-c2cncnc2)c(C#Cc2ccccc2)n1
|
C26H22N6O 434.503000 |
PQOANAVBEFTKCD-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213401; PubChem:CID117902821
|
Local ready
Direct docking supported
|
|
E3L008765
BDB008765
|
BDBM213402
CCNC(CC)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2ccc3c(C)nccc3c2)n1
|
C30H30N8O 518.625000 |
GEJGWYOHCBQTRW-UHFFFAOYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM213402; PubChem:CID117902529
|
Local ready
Direct docking supported
|
|
E3L008766
BDB008766
|
BDBM213403
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2ccc3nc(C)ccc3c2)n1
|
C28H26N8O 490.571000 |
ARTUOGQVGICVCP-UHFFFAOYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM213403; PubChem:CID117902416
|
Local ready
Direct docking supported
|
|
E3L008767
BDB008767
|
BDBM213404
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2cc(C)nc(C)c2)n1
|
C25H26N8O 454.538000 |
OJRHRPFWEXAEQA-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213404; PubChem:CID117902782
|
Local ready
Direct docking supported
|
|
E3L008768
BDB008768
|
BDBM213405
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2cc(F)cc(F)c2)n1
|
C24H21F2N7O 461.476000 |
ANPZZTBOYZYRBL-UHFFFAOYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM213405; PubChem:CID117902968
|
Local ready
Direct docking supported
|
|
E3L008769
BDB008769
|
BDBM213406
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2ccc(-n3cnc(C)c3)cc2)n1
|
C28H27N9O 505.586000 |
WELBXKPSYNELDG-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213406; PubChem:CID117903121
|
Local ready
Direct docking supported
|
|
E3L008770
BDB008770
|
BDBM213407
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2cc(F)c3ncccc3c2)n1
|
C27H23FN8O 494.534000 |
VKKPWLVOASHEOF-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213407; PubChem:CID117902628
|
Local ready
Direct docking supported
|
|
E3L008771
BDB008771
|
BDBM213408
CNC(C)C(=O)Nc1cc(-c2ncnc3c(C)nn(C)c23)cc(C#Cc2cnc3c(cnn3C)c2)n1
|
C25H24N10O 480.536000 |
LZTIERJQVROKAK-UHFFFAOYSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM213408; PubChem:CID117903158
|
Local ready
Direct docking supported
|
|
E3L008772
BDB008772
|
BDBM213748
COc1c(C[C@@H](C)OC(=O)Oc2ccc(O)cc2)c2c3c(C[C@@H](C)OC(=O)c4ccccc4)c(OC)c(=O)c4c(O)cc(OC)c(c5c(OC)cc(O)c(c1=O)c52)c43
|
C44H38O14 790.774000 |
SRJYZPCBWDVSGO-NHCUHLMSSA-N | P12830 | Catenin beta-1 |
BindingDB
BindingDB:BDBM213748
|
Local ready
Direct docking supported
|
|
E3L008773
BDB008773
|
1-hydroxy-5-[2-(2H-tetrazol-5-yl)ethyl]benzotriazole
On1nnc2cc(CCc3nn[nH]n3)ccc21
|
C9H9N7O 231.219000 |
ILSPBLDTHMAASO-UHFFFAOYSA-N | P12830 | Catenin beta-1 |
BindingDB, PubChem
BindingDB:BDBM213761; PubChem:CID71695705
|
Local ready
Direct docking supported
|
|
E3L008774
BDB008774
|
BDBM213814
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3nccc4ccccc34)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C29H25F3N6O2 546.553000 |
VMQCBKJZJJQHJQ-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213814; PubChem:CID77847043
|
Local ready
Direct docking supported
|
|
E3L008775
BDB008775
|
BDBM213815
COc1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1C
|
C27H27F3N6O3 540.546000 |
YHHXDQIUTBMVLI-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213815; PubChem:CID90325523
|
Local ready
Direct docking supported
|
|
E3L008776
BDB008776
|
BDBM213819
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3ncccc3-c3ccccc3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C31H27F3N6O2 572.591000 |
DNJHLHYAGIYIRT-GOSISDBHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213819; PubChem:CID77847044
|
Local ready
Direct docking supported
|
|
E3L008777
BDB008777
|
BDBM213834
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(C(C)(C)C)ccn3)n(Cc3ccc(C(F)(F)F)c(F)c3)c12)C1CCC1
|
C29H30F4N6O2 570.591000 |
SNKRKVJDCYOCRC-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213834; PubChem:CID77847123
|
Local ready
Direct docking supported
|
|
E3L008778
BDB008778
|
BDBM213835
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(C4CC4)ccn3)n(Cc3ccc(C(F)(F)F)c(F)c3)c12)C1CCC1
|
C28H26F4N6O2 554.548000 |
KMYDWSQXJCSMPK-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213835; PubChem:CID77847124
|
Local ready
Direct docking supported
|
|
E3L008779
BDB008779
|
BDBM213836
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(C4CCC4)ccn3)n(Cc3ccc(C(F)(F)F)c(F)c3)c12)C1CCC1
|
C29H28F4N6O2 568.575000 |
MEJVVIIKDFBXOG-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213836; PubChem:CID77847125
|
Local ready
Direct docking supported
|
|
E3L008780
BDB008780
|
BDBM213837
CCc1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)c(F)c2)c1
|
C27H26F4N6O2 542.537000 |
TXKJCOZLLRVXDI-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM213837; PubChem:CID77847126
|
Local ready
Direct docking supported
|