| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042341
BDB042341
|
BDBM783344
COC(=O)c1cc(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)cc7C(=O)OC)cc65)CCO4)c3)C1)CC2(C)C
|
C68H86F2N10O10 1241.492000 |
BIFVOPZOTHTOGF-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783344
|
Local ready
Direct docking supported
|
|
E3L042342
BDB042342
|
BDBM783345
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(Br)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(Br)cc7)cc65)CCO4)c3)C2)CN1
|
C64H82Br2N10O6 1247.232000 |
TXERAVVSCVGCRI-QXOCEMHNSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783345
|
Local ready
Direct docking supported
|
|
E3L042343
BDB042343
|
BDBM783346
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(CCc3cn(CCC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1
|
C65H89F2N15O5 1198.523000 |
MVWURGXHGZJSJK-KBOJEQMCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783346
|
Local ready
Direct docking supported
|
|
E3L042344
BDB042344
|
BDBM783347
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(Cc3cn(CC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1
|
C63H85F2N15O5 1170.469000 |
YZJGLRFDBJFABA-WGDHVHACSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783347
|
Local ready
Direct docking supported
|
|
E3L042345
BDB042345
|
BDBM783348
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(Cc3cn(CCC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1
|
C64H87F2N15O5 1184.496000 |
PFTFPTMFUNHZBW-KSMWCDOVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783348
|
Local ready
Direct docking supported
|
|
E3L042346
BDB042346
|
BDBM783349
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(CCc3cn(CCCC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1
|
C66H91F2N15O5 1212.550000 |
UZMIPDVOAWRTQZ-BNYMFXLVSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783349
|
Local ready
Direct docking supported
|
|
E3L042347
BDB042347
|
BDBM783350
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCN(CCc3cn(CCCCC(=O)N4CCN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(F)cc7)cc65)[C@H](C)C4)nn3)C[C@H]2C)CN1
|
C67H93F2N15O5 1226.577000 |
KCMBUTPQNTUBNW-IAMRINBPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783350
|
Local ready
Direct docking supported
|
|
E3L042348
BDB042348
|
BDBM783351
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)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C2)CN1
|
C60H80F2N12O7 1119.373000 |
RFOAPUXAFGCCDP-CTEGTHQKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783351
|
Local ready
Direct docking supported
|
|
E3L042349
BDB042349
|
BDBM783352
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)NCCCC(=O)N3CCN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(F)cc6)cc54)[C@H](C)C3)C2)CN1
|
C62H84F2N12O7 1147.427000 |
QYCXIAFJNYULJD-DMDBRDRXSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783352
|
Local ready
Direct docking supported
|
|
E3L042350
BDB042350
|
BDBM783353
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7)cc65)CCO4)cc3)C2)CN1
|
C66H84Cl2N12O8 1244.380000 |
WQPMOSZICSAOTA-HJIFXQICSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783353
|
Local ready
Direct docking supported
|
|
E3L042351
BDB042351
|
BDBM783354
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Br)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Br)cc7)cc65)CCO4)cc3)C2)CN1
|
C66H84Br2N12O8 1333.282000 |
UIJJGKYTMOTZBQ-HJIFXQICSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783354
|
Local ready
Direct docking supported
|
|
E3L042352
BDB042352
|
BDBM783355
Cc1ccc(Cc2cc3c([nH]c2=O)C(C)(C)CN3C(=O)CN2C[C@@H](C)NC[C@@H]2CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(C)cc7)cc65)CCO4)cc3)C2)cc1
|
C68H90N12O8 1203.544000 |
ORTVDYAZMMOXFV-XDWHOTOFSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783355
|
Local ready
Direct docking supported
|
|
E3L042353
BDB042353
|
BDBM783356
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4O)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7O)cc65)CCO4)cc3)C2)CN1
|
C66H84Cl2N12O10 1276.378000 |
VWMCOOWFQJTGOL-PLWLMHAKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783356
|
Local ready
Direct docking supported
|
|
E3L042354
BDB042354
|
BDBM783357
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4Cl)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7Cl)cc65)CCO4)cc3)C2)CN1
|
C66H82Cl4N12O8 1313.270000 |
WQTMCRLCLZFGGS-PLWLMHAKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783357
|
Local ready
Direct docking supported
|
|
E3L042355
BDB042355
|
BDBM783358
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(C(F)F)cc4)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(C(F)F)cc7)cc65)CCO4)cc3)C2)CN1
|
C68H86F4N12O8 1275.504000 |
CVDJPNAFYQBBFG-HJIFXQICSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783358
|
Local ready
Direct docking supported
|
|
E3L042356
BDB042356
|
BDBM783359
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4c(F)cc(F)cc4F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7c(F)cc(F)cc7F)cc65)CCO4)cc3)C2)CN1
|
C66H80F6N12O8 1283.430000 |
QTNAOKKJXVMWMG-SRHZBNBTSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783359
|
Local ready
Direct docking supported
|
|
E3L042357
BDB042357
|
BDBM783360
Cc1cc(Cl)ccc1Cc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(Cl)cc6C)cc54)CCO3)cc2)C1
|
C68H88Cl2N12O8 1272.434000 |
JENHDSSQMZYJBU-DUMMGLOSSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783360
|
Local ready
Direct docking supported
|
|
E3L042358
BDB042358
|
BDBM783361
COc1cc(Cl)ccc1Cc1cc2c([nH]c1=O)C(C)(C)CN2C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCO[C@H](C(=O)NCc2ccc(CNC(=O)[C@@H]3CN(C[C@H]4CN[C@H](C)CN4CC(=O)N4CC(C)(C)c5[nH]c(=O)c(Cc6ccc(Cl)cc6OC)cc54)CCO3)cc2)C1
|
C68H88Cl2N12O10 1304.432000 |
AIXVXKVHWSPNEC-WYVOTNHZSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783361
|
Local ready
Direct docking supported
|
|
E3L042359
BDB042359
|
BDBM783362
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4C(F)(F)F)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7C(F)(F)F)cc65)CCO4)cc3)C2)CN1
|
C68H82Cl2F6N12O8 1380.374000 |
CFAXEXYMIQXGMH-PLWLMHAKSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783362
|
Local ready
Direct docking supported
|
|
E3L042360
BDB042360
|
BDBM783363
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3[nH]c(=O)c(Cc4ccc(Cl)cc4C#N)cc32)[C@@H](CN2CCO[C@H](C(=O)NCc3ccc(CNC(=O)[C@@H]4CN(C[C@H]5CN[C@H](C)CN5CC(=O)N5CC(C)(C)c6[nH]c(=O)c(Cc7ccc(Cl)cc7C#N)cc65)CCO4)cc3)C2)CN1
|
C68H82Cl2N14O8 1294.400000 |
GNCKDXLBIIGKAH-VMCJDGNGSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM783363
|
Local ready
Direct docking supported
|