| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013281
BDB013281
|
BDBM298439
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN1CCN(C)CC1
|
C44H54N8O8S 855.031000 |
KLCRZBNGDBKHFA-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298439
|
Local ready
Direct docking supported
|
|
E3L013282
BDB013282
|
BDBM298440
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CCN(C2CC2)CC1
|
C45H54N8O7S 851.043000 |
UCOJVIUVBDALNV-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298440
|
Local ready
Direct docking supported
|
|
E3L013283
BDB013283
|
US10125100, Example 36
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCO
|
C43H52N6O11S 860.987000 |
NZIUKWCXTXDJLH-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298441; PubChem:CID121255444
|
Local ready
Direct docking supported
|
|
E3L013284
BDB013284
|
US10125100, Example 39
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCN(C)C
|
C41H49N7O8S 799.951000 |
ICRKLHQKHODTLD-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298442; PubChem:CID121255584
|
Local ready
Direct docking supported
|
|
E3L013285
BDB013285
|
BDBM298443
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1S(=O)(=O)CCOCCOCCO
|
C41H49N5O11S2 852.001000 |
FWAKQDXLCUPALU-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298443
|
Local ready
Direct docking supported
|
|
E3L013286
BDB013286
|
US10125100, Example 41
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NC(=O)CO)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CC[S+]([O-])CC1
|
C43H49N7O8S 823.973000 |
KPESYVJNOVNDGE-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298444; PubChem:CID121255259
|
Local ready
Direct docking supported
|
|
E3L013287
BDB013287
|
US10125100, Example 42
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NC[C@H](O)[C@H](O)[C@H](O)CO
|
C41H48N6O11S 832.933000 |
HJDQNNIRKWGQGL-JBQSSDAJSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298445; PubChem:CID121255537
|
Local ready
Direct docking supported
|
|
E3L013288
BDB013288
|
US10125100, Example 44
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1P(C)(=O)O
|
C36H40N5O8PS 733.784000 |
SUXULCDTOIYHQM-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298446; PubChem:CID121255266
|
Local ready
Direct docking supported
|
|
E3L013289
BDB013289
|
BDBM298447
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1S(=O)(=O)CC(CO)(CO)CO
|
C40H47N5O11S2 837.974000 |
QVVCBWMDXHAMET-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM298447
|
Local ready
Direct docking supported
|
|
E3L013290
BDB013290
|
US10125100, Example 47
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(NS(C)(=O)=O)c4OC)c4ccccc34)ccn2)cc(OC)c1C(=O)NCCOCCOCCOP(=O)(O)O
|
C43H53N6O14PS 940.966000 |
AFFDEZDCXSAKBU-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298449; PubChem:CID121255405
|
Local ready
Direct docking supported
|
|
E3L013291
BDB013291
|
US10125100, Example 48
COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(C(C)(C)C)cc(N(CCO)S(C)(=O)=O)c4OC)c4ccccc34)ccn2)ccc1C(=O)NCCN1CC[S+]([O-])CC1
|
C44H53N7O9S2 888.082000 |
KAXFCXIHQXDECG-UHFFFAOYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM298450; PubChem:CID121255417
|
Local ready
Direct docking supported
|
|
E3L013292
BDB013292
|
US9593129, Example 4
CCOC(=O)[C@H](CC(C)C)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H31Cl2NO5 520.453000 |
WIDCHSXWMFEAAW-CDLYNWKESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299327; PubChem:CID56591303
|
Local ready
Direct docking supported
|
|
E3L013293
BDB013293
|
US9593129, Example 5
CCC[C@@H](C(=O)OCC)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C26H29Cl2NO5 506.426000 |
MCRCUPOPKHYMAD-UWSZBUKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299328; PubChem:CID56591302
|
Local ready
Direct docking supported
|
|
E3L013294
BDB013294
|
BDBM299330
CC[C@@H](CO)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C23H25Cl2NO4 450.362000 |
MUYVUHCWOCMQPD-CJXUKZFBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299330; PubChem:CID56591282
|
Local ready
Direct docking supported
|
|
E3L013295
BDB013295
|
US9593129, Example 9
CC[C@@H](COCC1CC1)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H31Cl2NO4 504.454000 |
IVRFTZMAUZKFCT-JOXZGHKQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299333; PubChem:CID56591280
|
Local ready
Direct docking supported
|
|
E3L013296
BDB013296
|
US9593129, Example 10
CC[C@@H](COC)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C24H27Cl2NO4 464.389000 |
CJQDECCTNLYNFJ-WJBHACNQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299334; PubChem:CID56591279
|
Local ready
Direct docking supported
|
|
E3L013297
BDB013297
|
US9593129, Example 11
CC[C@@H](COCCOC)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C26H31Cl2NO5 508.442000 |
LUQHKHJXEOHCBW-FKFVHYFGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299335; PubChem:CID56591278
|
Local ready
Direct docking supported
|
|
E3L013298
BDB013298
|
BDBM299336
CC[C@@H](COCC1(C#N)CC1)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H30Cl2N2O4 529.464000 |
PPSUZWIDVCWPSG-JOXZGHKQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299336; PubChem:CID56591259
|
Local ready
Direct docking supported
|
|
E3L013299
BDB013299
|
BDBM299340
CC[C@@H](COCC1(C(N)=O)CC1)N1C(=O)[C@@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H32Cl2N2O5 547.479000 |
ITFUUZBITGMSIO-FKFVHYFGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299340; PubChem:CID56591459
|
Local ready
Direct docking supported
|
|
E3L013300
BDB013300
|
US9593129, Example 17
CC[C@@H](COCC1(C(N)=O)CC1)N1C(=O)[C@H](CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C28H32Cl2N2O5 547.479000 |
ITFUUZBITGMSIO-KNEWOZPHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299341; PubChem:CID56591440
|
Local ready
Direct docking supported
|