| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L048461
BDB048461
|
BDBM50206393
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc23)c1
|
C23H17N5O7S 507.484000 |
MGHRIOSQJVOCSQ-KHPPLWFESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206393; PubChem:CID134144731
|
Local ready
Direct docking supported
|
|
E3L048462
BDB048462
|
3-(1H-indazol-3-yl)aniline
Nc1cccc(-c2n[nH]c3ccccc23)c1
|
C13H11N3 209.252000 |
WUXVDMCUIORDRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206394; PubChem:CID68239376
|
Local ready
Direct docking supported
|
|
E3L048463
BDB048463
|
BDBM50206406
O=C(O)CCC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C23H20N4O5S 464.503000 |
KECHWBXSWDUXLA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206406; PubChem:CID134152243
|
Local ready
Direct docking supported
|
|
E3L048464
BDB048464
|
BDBM50206407
O=C(O)/C=C/C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C23H18N4O5S 462.487000 |
PNQGVSADKMNRHP-VAWYXSNFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206407; PubChem:CID134147722
|
Local ready
Direct docking supported
|
|
E3L048465
BDB048465
|
BDBM50206408
COC(=O)CCC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C24H22N4O5S 478.530000 |
RMJGEOPKVZZYTL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206408; PubChem:CID134149620
|
Local ready
Direct docking supported
|
|
E3L048466
BDB048466
|
BDBM50206409
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc23)c1
|
C23H17FN4O5S 480.477000 |
OGTWWZDGBKFYPB-KHPPLWFESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206409; PubChem:CID134157266
|
Local ready
Direct docking supported
|
|
E3L048467
BDB048467
|
BDBM50206410
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
|
C17H13N3O3 307.309000 |
XGBWNQAIFWUOON-HJWRWDBZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206410; PubChem:CID134141730
|
Local ready
Direct docking supported
|
|
E3L048468
BDB048468
|
BDBM50206411
CCNC(=O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
|
C19H18N4O2 334.379000 |
KNIPZTNCWMXIQG-KHPPLWFESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206411; PubChem:CID134135396
|
Local ready
Direct docking supported
|
|
E3L048469
BDB048469
|
BDBM50206412
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C23H18N4O5S 462.487000 |
PNQGVSADKMNRHP-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206412; PubChem:CID134156381
|
Local ready
Direct docking supported
|
|
E3L048470
BDB048470
|
BDBM50206413
Cc1ccc(S(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(NC(=O)/C=C\C(=O)O)c4)c3c2)cc1
|
C24H20N4O5S 476.514000 |
VHRBAOFJRSFVHL-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206413; PubChem:CID134154154
|
Local ready
Direct docking supported
|
|
E3L048471
BDB048471
|
BDBM50206414
CC(C)OC(=O)CCC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C26H26N4O5S 506.584000 |
QSKHBRBUJVMKMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206414; PubChem:CID134148676
|
Local ready
Direct docking supported
|
|
E3L048472
BDB048472
|
BDBM50206415
NC(=O)CCC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C23H21N5O4S 463.519000 |
JOQPAKTWBKIHRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206415; PubChem:CID134140540
|
Local ready
Direct docking supported
|
|
E3L048473
BDB048473
|
BDBM50206416
CC#CC(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccccc4)cc23)c1
|
C23H18N4O3S 430.489000 |
ZLLOVYIVPRFDPV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206416; PubChem:CID134143937
|
Local ready
Direct docking supported
|
|
E3L048474
BDB048474
|
BDBM50206417
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc23)c1
|
C29H22N4O5S 538.585000 |
TUEHSYITVOLOMC-NXVVXOECSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206417; PubChem:CID134149877
|
Local ready
Direct docking supported
|
|
E3L048475
BDB048475
|
BDBM50206418
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NCc4ccccc4)cc23)c1
|
C24H20N4O3 412.449000 |
LTKZCFJVDKEUFE-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206418; PubChem:CID134154707
|
Local ready
Direct docking supported
|
|
E3L048476
BDB048476
|
BDBM50206419
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3ccc(NC(=O)Nc4ccccc4)cc23)c1
|
C24H19N5O4 441.447000 |
XFYZEMMAKSZBNW-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206419; PubChem:CID134134901
|
Local ready
Direct docking supported
|
|
E3L048477
BDB048477
|
BDBM50206427
O=C(Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1)Nc1ccc2c(O)cc(S(=O)(=O)O)cc2c1
|
C21H16N2O9S2 504.498000 |
PCGISRHGYLRXSR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50206427; PubChem:CID67254
|
Local ready
Direct docking supported
|
|
E3L048478
BDB048478
|
Mkk7-cov-2
C=CC(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
|
C16H13N3O 263.300000 |
SYTUFLIGWRGQDS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206444; PubChem:CID134134408
|
Local ready
Direct docking supported
|
|
E3L048479
BDB048479
|
BDBM50206445
CCOC(=O)/C=C/C(=O)Nc1cccc(-c2n[nH]c3ccccc23)c1
|
C19H17N3O3 335.363000 |
DQZZMLOOOMDDOU-ZHACJKMWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206445; PubChem:CID134153554
|
Local ready
Direct docking supported
|
|
E3L048480
BDB048480
|
BDBM50206446
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3cc(NS(=O)(=O)c4ccccc4)ccc23)c1
|
C23H18N4O5S 462.487000 |
IKGYLDBNGRWQRR-QXMHVHEDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50206446; PubChem:CID134143295
|
Local ready
Direct docking supported
|