| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044621
BDB044621
|
Flavone
O=c1cc(-c2ccccc2)oc2ccccc12
|
C15H10O2 222.243000 |
VHBFFQKBGNRLFZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50028962; PubChem:CID10680
|
Local ready
Direct docking supported
|
|
E3L044622
BDB044622
|
BDBM50029356
O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCOCC4)ccc23)cc1
|
C29H32N6O3 512.614000 |
ZORWXMUNOJMUBY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029356; PubChem:CID50898605
|
Local ready
Direct docking supported
|
|
E3L044623
BDB044623
|
BDBM50029367
CN1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
|
C30H35N7O2 525.657000 |
HMYRVBUHXWGRJY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029367; PubChem:CID50898682
|
Local ready
Direct docking supported
|
|
E3L044624
BDB044624
|
BDBM50029416
O=C(NCc1ccccc1)Nc1ccc(Nc2ncnc3cc(OCCCN4CCCCC4)ccc23)cc1
|
C30H34N6O2 510.642000 |
TZBQXXNSSCAVKT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029416; PubChem:CID50898683
|
Local ready
Direct docking supported
|
|
E3L044625
BDB044625
|
BDBM50029422
CC1CCCCN1CCCOc1ccc2c(Nc3ccc(NC(=O)NCc4ccccc4)cc3)ncnc2c1
|
C31H36N6O2 524.669000 |
RYSYVUSXNRKLCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029422; PubChem:CID118716988
|
Local ready
Direct docking supported
|
|
E3L044626
BDB044626
|
BDBM50029423
CC1CCN(CCCOc2ccc3c(Nc4ccc(NC(=O)NCc5ccccc5)cc4)ncnc3c2)CC1
|
C31H36N6O2 524.669000 |
YKPYZRLLGKAMJE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029423; PubChem:CID118716989
|
Local ready
Direct docking supported
|
|
E3L044627
BDB044627
|
BDBM50029425
O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1
|
C29H34N6O2 498.631000 |
UPVLUCLFYXJYAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029425; PubChem:CID118716991
|
Local ready
Direct docking supported
|
|
E3L044628
BDB044628
|
BDBM50029429
CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
|
C29H36N6O2 500.647000 |
ZXCAATWSTKTNHY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029429; PubChem:CID118716990
|
Local ready
Direct docking supported
|
|
E3L044629
BDB044629
|
BDBM50029432
CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NCc4ccccc4)cc3)C2C=C1
|
C29H36N6O3 516.646000 |
UFPQGXCKSQUHHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029432; PubChem:CID118716992
|
Local ready
Direct docking supported
|
|
E3L044630
BDB044630
|
BDBM50029437
O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCN(CCO)CC4)C=CC23)cc1
|
C31H39N7O3 557.699000 |
UOIQPVBUBCCGJD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029437; PubChem:CID118716993
|
Local ready
Direct docking supported
|
|
E3L044631
BDB044631
|
BDBM50029439
O=C(NCc1ccccc1)Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCC(CO)CC4)C=CC23)cc1
|
C31H38N6O3 542.684000 |
UHRNXUUGHMAQNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029439; PubChem:CID118716994
|
Local ready
Direct docking supported
|
|
E3L044632
BDB044632
|
BDBM50029444
O=C(Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCOCC4)C=CC23)cc1)NC1CCCCC1
|
C28H38N6O3 506.651000 |
NSVICOOGAFNGHP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029444; PubChem:CID118716995
|
Local ready
Direct docking supported
|
|
E3L044633
BDB044633
|
BDBM50029446
CN1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
|
C29H41N7O2 519.694000 |
CFSAUVVSNYZBGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029446; PubChem:CID118716996
|
Local ready
Direct docking supported
|
|
E3L044634
BDB044634
|
BDBM50029447
O=C(Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCCC4)C=CC23)cc1)NC1CCCCC1
|
C29H40N6O2 504.679000 |
GDSIRLSWDHCACM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029447; PubChem:CID118716997
|
Local ready
Direct docking supported
|
|
E3L044635
BDB044635
|
BDBM50029449
CC1CCCCN1CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
|
C30H42N6O2 518.706000 |
MORVKBRPZDOTCQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029449; PubChem:CID118716998
|
Local ready
Direct docking supported
|
|
E3L044636
BDB044636
|
BDBM50029453
CC1CCN(CCCOC2=CC3N=CN=C(Nc4ccc(NC(=O)NC5CCCCC5)cc4)C3C=C2)CC1
|
C30H42N6O2 518.706000 |
QLQCSGMKEZSDOV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029453; PubChem:CID118717053
|
Local ready
Direct docking supported
|
|
E3L044637
BDB044637
|
BDBM50029454
O=C(Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCCC4)C=CC23)cc1)NC1CCCCC1
|
C28H38N6O2 490.652000 |
ICYNJWIBQVTAKQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029454; PubChem:CID118717054
|
Local ready
Direct docking supported
|
|
E3L044638
BDB044638
|
BDBM50029455
CCN(CC)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
|
C28H40N6O2 492.668000 |
XEZNBKVBTAWBBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029455; PubChem:CID118717055
|
Local ready
Direct docking supported
|
|
E3L044639
BDB044639
|
BDBM50029456
CCN(CCO)CCCOC1=CC2N=CN=C(Nc3ccc(NC(=O)NC4CCCCC4)cc3)C2C=C1
|
C28H40N6O3 508.667000 |
XZXDFCJIGPPSNH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029456; PubChem:CID118717057
|
Local ready
Direct docking supported
|
|
E3L044640
BDB044640
|
BDBM50029457
O=C(Nc1ccc(NC2=NC=NC3C=C(OCCCN4CCN(CCO)CC4)C=CC23)cc1)NC1CCCCC1
|
C30H43N7O3 549.720000 |
CQPHVBRWENFOLH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50029457; PubChem:CID118717058
|
Local ready
Direct docking supported
|