| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042321
BDB042321
|
BDBM783324
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)N(C)CC3CCN(C(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)CC3)C2)CN1
|
C65H88F2N12O8 1203.491000 |
RVLJJVXFQZBCEB-QJQNQQGTSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783324
|
Local ready
Direct docking supported
|
|
E3L042322
BDB042322
|
BDBM783325
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCC3CCN(C(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)CC3)C2)CN1
|
C64H86F2N12O8 1189.464000 |
DIJPOQCDLWGSJQ-SFDAQCDUSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783325
|
Local ready
Direct docking supported
|
|
E3L042323
BDB042323
|
BDBM783326
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCCN3CCN(C(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)CC3)C2)CN1
|
C64H87F2N13O8 1204.479000 |
FTNOAZMJJOJCMD-AEZFHRCYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783326
|
Local ready
Direct docking supported
|
|
E3L042324
BDB042324
|
BDBM783327
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCCCN(C)C(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C62H84F2N12O8 1163.426000 |
JFPKBBRMAHFJRU-PAEITVHVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783327
|
Local ready
Direct docking supported
|
|
E3L042325
BDB042325
|
BDBM783328
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCCCCCNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C63H86F2N12O8 1177.453000 |
HRCWDZAISKKZAO-URZJVMFDSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783328
|
Local ready
Direct docking supported
|
|
E3L042326
BDB042326
|
BDBM783329
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCC(O)CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C61H82F2N12O9 1165.398000 |
RHXHYBSZLSDNRG-FWYAIXSHSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783329
|
Local ready
Direct docking supported
|
|
E3L042327
BDB042327
|
BDBM783330
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCCOCCNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C62H84F2N12O9 1179.425000 |
QWCUCJIXTTZCRW-PAEITVHVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783330
|
Local ready
Direct docking supported
|
|
E3L042328
BDB042328
|
BDBM783331
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCC(C)(C)CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)CCO3)C2)CN1
|
C63H86F2N12O8 1177.453000 |
DIWNDODJEWHRMK-PAEITVHVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783331
|
Local ready
Direct docking supported
|
|
E3L042329
BDB042329
|
BDBM783332
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)Nc3cccc(NC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
|
C64H80F2N12O8 1183.416000 |
JUIWWZNZWKMFLN-WIJHGESOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783332
|
Local ready
Direct docking supported
|
|
E3L042330
BDB042330
|
BDBM783333
Cc1c(NC(=O)[C@@H]2CN(C[C@H]3CN[C@H](C)CN3CC(=O)N3CC(C)(C)c4[nH]c(=O)c(Cc5ccc(F)cc5)cc43)CCO2)cccc1NC(=O)[C@@H]1CN(C[C@H]2CN[C@H](C)CN2CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)CCO1
|
C65H82F2N12O8 1197.443000 |
LFXYGPIYHBAVFI-LTFXPIABSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783333
|
Local ready
Direct docking supported
|
|
E3L042331
BDB042331
|
BDBM783334
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Oc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Oc7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
|
C62H78F2N10O8 1129.364000 |
QJUCNOSWDIBFHG-CCLPDXDJSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783334
|
Local ready
Direct docking supported
|
|
E3L042332
BDB042332
|
BDBM783335
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Nc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Nc7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
|
C62H80F2N12O6 1127.396000 |
NNNKCPFJPWDUIZ-AEZFHRCYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783335
|
Local ready
Direct docking supported
|
|
E3L042333
BDB042333
|
BDBM783336
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(N(C)c4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(N(C)c7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
|
C64H84F2N12O6 1155.450000 |
CNXOBPFBYKHDRB-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783336
|
Local ready
Direct docking supported
|
|
E3L042334
BDB042334
|
BDBM783337
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7)cc65)CCO4)c3)C2)CN1
|
C64H82F2N10O6 1125.420000 |
PPPOFDUCCMFIKK-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783337
|
Local ready
Direct docking supported
|
|
E3L042335
BDB042335
|
BDBM783338
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4cccnc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7cccnc7)cc65)CCO4)c3)C2)CN1
|
C62H82N12O6 1091.416000 |
AIHXGRAASNMFHL-NFWBYDGYSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783338
|
Local ready
Direct docking supported
|
|
E3L042336
BDB042336
|
BDBM783339
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(Cl)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(Cl)cc7)cc65)CCO4)c3)C2)CN1
|
C64H82Cl2N10O6 1158.330000 |
YNNSBAQATNLWRR-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783339
|
Local ready
Direct docking supported
|
|
E3L042337
BDB042337
|
BDBM783340
Cc1ccc(Cc2cnc3c(c2)N(C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCO[C@H](COc4cccc(OC[C@@H]5CN(C[C@H]6CN[C@H](C)CN6CC(=O)N6CC(C)(C)c7ncc(Cc8ccc(C)cc8)cc76)CCO5)c4)C2)CC3(C)C)cc1
|
C66H88N10O6 1117.494000 |
WYOQVEKRHFYOBI-QBRWDTAQSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783340
|
Local ready
Direct docking supported
|
|
E3L042338
BDB042338
|
BDBM783341
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(C(F)(F)F)cc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(C(F)(F)F)cc7)cc65)CCO4)c3)C2)CN1
|
C66H82F6N10O6 1225.434000 |
NIGBWVUVXVCYQH-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783341
|
Local ready
Direct docking supported
|
|
E3L042339
BDB042339
|
BDBM783342
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](CN2CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccccc7)cc65)CCO4)c3)C2)CN1
|
C64H84N10O6 1089.440000 |
ZTAGBTQRPJZGIN-DBFQOZEPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783342
|
Local ready
Direct docking supported
|
|
E3L042340
BDB042340
|
BDBM783343
COc1cc(F)ccc1Cc1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](COc3cccc(OC[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6ncc(Cc7ccc(F)cc7OC)cc65)CCO4)c3)C1)CC2(C)C
|
C66H86F2N10O8 1185.472000 |
PXBLDMNLSVHTHI-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783343
|
Local ready
Direct docking supported
|