| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056121
BDB056121
|
BDBM50436712
CN(C)CCOc1cccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)c1
|
C31H32N6O3 536.636000 |
VQLNOPOZCKAEHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436712; PubChem:CID57946607
|
Local ready
Direct docking supported
|
|
E3L056122
BDB056122
|
Ceritinib
Cc1cc(Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CCNCC1
|
C28H36ClN5O3S 558.148000 |
VERWOWGGCGHDQE-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50436850; PubChem:CID57379345
|
Local ready
Direct docking supported
|
|
E3L056123
BDB056123
|
BDBM50436874
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C22H34N4O3 402.539000 |
NKTMPLCHKZQWOG-SAKMYQHLSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436874; PubChem:CID71713794
|
Local ready
Direct docking supported
|
|
E3L056124
BDB056124
|
BDBM50436875
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C33H47N5O5 593.769000 |
OVEYZHGFBIYALJ-GXBVYBDKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436875; PubChem:CID71713797
|
Local ready
Direct docking supported
|
|
E3L056125
BDB056125
|
BDBM50436877
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(=O)OCc1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C32H45N5O5 579.742000 |
LAEIPUYJNBHTFF-QTMWPNOBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436877; PubChem:CID71713956
|
Local ready
Direct docking supported
|
|
E3L056126
BDB056126
|
BDBM50436878
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C25H40N8O5 532.646000 |
VCKNDEAQNFVJQO-CZGNIMDHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50436878
|
Local ready
Direct docking supported
|
|
E3L056127
BDB056127
|
BDBM50436879
CC(C)[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](C)C(=O)Nc1cccc2ccccc12
|
C21H28N4O4 400.479000 |
ODQVNQDIPJQJSW-OWQGQXMQSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436879; PubChem:CID49789910
|
Local ready
Direct docking supported
|
|
E3L056128
BDB056128
|
BDBM50436882
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C22H34N4O4 418.538000 |
XIIRQXDXNSJBAV-VLQPXKRTSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436882; PubChem:CID71713955
|
Local ready
Direct docking supported
|
|
E3L056129
BDB056129
|
BDBM50436883
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C24H37N5O4 459.591000 |
AVJWVEBDWRDTMQ-FCBIJRMHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436883; PubChem:CID71713796
|
Local ready
Direct docking supported
|
|
E3L056130
BDB056130
|
BDBM50436889
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)NNc1ccccc1)C(C)C
|
C21H35N9O5 493.569000 |
NUANDDLZGWEIRT-XIRDDKMYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436889; PubChem:CID71713957
|
Local ready
Direct docking supported
|
|
E3L056131
BDB056131
|
BDBM50436890
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCN)C(=O)N[C@@H]1CCCc2ccccc21)C(C)C
|
C24H39N5O3 445.608000 |
WDMKUTLEJONAPH-CZGNIMDHSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436890; PubChem:CID71713798
|
Local ready
Direct docking supported
|
|
E3L056132
BDB056132
|
BDBM50436897
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1ccccc1)[C@@H](C)O)C(C)C
|
C19H31N5O4 393.488000 |
YOBWRFPWSISANW-XRGAULLZSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50436897; PubChem:CID71714106
|
Local ready
Direct docking supported
|
|
E3L056133
BDB056133
|
BDBM50436898
[C][N][C@@H]([C])C(=O)[N][C@@H]([C]([C])[C])C(=O)[N][C@@H]([C][C][C]N=C([N])[N])C(=O)[N][N]c1ccccc1
|
C21H8N8O3 420.348000 |
NJUZJYVAKLYGQG-XIRDDKMYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50436898
|
Local ready
Direct docking supported
|
|
E3L056134
BDB056134
|
BDBM50437207
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2F)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C30H26Cl2F3N3O3 604.456000 |
ZBFIMRGNCSUEQT-FQFMIMTMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437207; PubChem:CID53358688
|
Local ready
Direct docking supported
|
|
E3L056135
BDB056135
|
BDBM50437208
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)c(F)c2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C30H26Cl2F3N3O3 604.456000 |
FHYGQTXLSUSDHS-FQFMIMTMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50437208
|
Local ready
Direct docking supported
|
|
E3L056136
BDB056136
|
BDBM50437209
COc1cc(NC(=O)[C@@H]2N[C@@H](CC(C)(C)C)[C@](C#N)(c3ccc(Cl)cc3F)[C@H]2c2cccc(Cl)c2F)ccc1C(=O)O
|
C31H29Cl2F2N3O4 616.492000 |
QFSQODXTNHWKSL-LJQIRTBHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437209; PubChem:CID59249270
|
Local ready
Direct docking supported
|
|
E3L056137
BDB056137
|
BDBM50437210
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc3cc(C(=O)O)ccc3c2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C34H29Cl2F2N3O3 636.526000 |
UMMYJMRFNJKFMP-QGHWIGIDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437210; PubChem:CID59249677
|
Local ready
Direct docking supported
|
|
E3L056138
BDB056138
|
BDBM50437211
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cn2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C29H26Cl2F2N4O3 587.454000 |
KCLGOJLRKLTZEP-PSAGRBGJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437211; PubChem:CID53358566
|
Local ready
Direct docking supported
|
|
E3L056139
BDB056139
|
BDBM50437212
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C30H27Cl2F2N3O3 586.466000 |
MEPKPTIQIKKNNL-FQFMIMTMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437212; PubChem:CID45139217
|
Local ready
Direct docking supported
|
|
E3L056140
BDB056140
|
BDBM50437213
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2cccc(C(=O)O)c2)[C@H](c2cccc(Cl)c2F)[C@@]1(C#N)c1ccc(Cl)cc1F
|
C30H27Cl2F2N3O3 586.466000 |
PNBCSWDIOOLREF-FQFMIMTMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50437213; PubChem:CID59249253
|
Local ready
Direct docking supported
|