| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052641
BDB052641
|
BDBM50324263
CN(C)S(=O)(=O)c1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C22H23N3O6S 457.508000 |
KFYKXJYCULQGMU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324263; PubChem:CID68790104
|
Local ready
Direct docking supported
|
|
E3L052642
BDB052642
|
BDBM50324264
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc32)[nH]c2c1C(=O)CCC2
|
C24H25N3O6S 483.546000 |
MEKHYJNJENZTPN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324264; PubChem:CID68793992
|
Local ready
Direct docking supported
|
|
E3L052643
BDB052643
|
BDBM50324265
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc32)[nH]c2c1C(=O)CCC2
|
C25H27N3O6S 497.573000 |
SWQVIBOZAHRMDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324265; PubChem:CID68792451
|
Local ready
Direct docking supported
|
|
E3L052644
BDB052644
|
BDBM50324266
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc32)[nH]c2c1C(=O)CCC2
|
C24H25N3O7S 499.545000 |
HXIVCBZYBQNXPZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324266; PubChem:CID68792250
|
Local ready
Direct docking supported
|
|
E3L052645
BDB052645
|
BDBM50324267
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2
|
C28H25N3O6S 531.590000 |
NROKZPYRSOKBHT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324267; PubChem:CID68792404
|
Local ready
Direct docking supported
|
|
E3L052646
BDB052646
|
BDBM50324268
CCS(=O)(=O)Nc1ccc2c(c1)C(=Cc1[nH]c3c(c1CCC(=O)O)C(=O)CCC3)C(=O)N2
|
C22H23N3O6S 457.508000 |
VDCTUISDNDCWAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324268; PubChem:CID68793951
|
Local ready
Direct docking supported
|
|
E3L052647
BDB052647
|
BDBM50324269
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C26H23N3O6S 505.552000 |
VFMJIULPVNSAOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324269; PubChem:CID68791605
|
Local ready
Direct docking supported
|
|
E3L052648
BDB052648
|
BDBM50324270
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)Cc4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C27H25N3O6S 519.579000 |
WYLTWMHCCIFULE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324270; PubChem:CID68792998
|
Local ready
Direct docking supported
|
|
E3L052649
BDB052649
|
BDBM50324271
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C28H27N3O6S 533.606000 |
BBTDOQATPTVBOJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324271; PubChem:CID68794463
|
Local ready
Direct docking supported
|
|
E3L052650
BDB052650
|
BDBM50324272
O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2c(c1CCC(=O)N1CCCC1)C(=O)CCC2
|
C30H30N4O5S 558.660000 |
JVXJMEFHHQBIIG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324272
|
Local ready
Direct docking supported
|
|
E3L052651
BDB052651
|
BDBM50324273
O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2c(c1CCC(=O)N1CCOCC1)C(=O)CCC2
|
C30H30N4O6S 574.659000 |
HMCLAGIMLMMAEF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324273
|
Local ready
Direct docking supported
|
|
E3L052652
BDB052652
|
BDBM50324274
CNC(=O)CCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C27H26N4O5S 518.595000 |
CEUGFEWLHGCQEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324274
|
Local ready
Direct docking supported
|
|
E3L052653
BDB052653
|
BDBM50324275
O=C1Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2C1=Cc1[nH]c2c(c1CCC(=O)N1CCOCC1)C(=O)CCC2
|
C32H32N4O6S 600.697000 |
HMUZWZQGRIJSCT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324275
|
Local ready
Direct docking supported
|
|
E3L052654
BDB052654
|
BDBM50324276
O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2C1=Cc1[nH]c2c(c1CCCN1CCCC1)C(=O)CCC2
|
C30H32N4O4S 544.677000 |
GFDMYTNCMHUIAT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324276
|
Local ready
Direct docking supported
|
|
E3L052655
BDB052655
|
BDBM50324277
CN(C)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C28H30N4O4S 518.639000 |
VMUAYDSPKYLLJV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324277
|
Local ready
Direct docking supported
|
|
E3L052656
BDB052656
|
BDBM50324278
CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)[nH]c2c1C(=O)CCC2
|
C30H34N4O4S 546.693000 |
BZDPNSHFCIPOPU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324278
|
Local ready
Direct docking supported
|
|
E3L052657
BDB052657
|
BDBM50324279
CN(C)CCCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2
|
C30H32N4O4S 544.677000 |
WHFRCTYFOGGZAU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324279
|
Local ready
Direct docking supported
|
|
E3L052658
BDB052658
|
BDBM50324280
CCN(CC)CCCc1c(C=C2C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)[nH]c2c1C(=O)CCC2
|
C32H36N4O4S 572.731000 |
HZGUNBBYCUIOFD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324280
|
Local ready
Direct docking supported
|
|
E3L052659
BDB052659
|
BDBM50324281
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccccc32)[nH]c2c1C(=O)CCC2
|
C22H22N2O4 378.428000 |
UNIXJJWURDPXLK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324281; PubChem:CID68793099
|
Local ready
Direct docking supported
|
|
E3L052660
BDB052660
|
BDBM50324282
CCOC(=O)CCc1c(C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)CCC2
|
C22H21FN2O4 396.418000 |
QRXBIMZQMNMXMH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324282; PubChem:CID68791003
|
Local ready
Direct docking supported
|