| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054641
BDB054641
|
BDBM50383191
COc1cc2nccc(Oc3ccc(NC(=O)c4c(C)n(C)n(-c5ccccc5)c4=O)cc3F)c2cc1OC
|
C29H25FN4O5 528.540000 |
SBLMCLDRWJNEJK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383191; PubChem:CID56604907
|
Local ready
Direct docking supported
|
|
E3L054642
BDB054642
|
WZ-4002
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ncc2Cl)c1
|
C25H27ClN6O3 494.983000 |
ITTRLTNMFYIYPA-UHFFFAOYSA-N | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50383274; PubChem:CID44607530
|
Local ready
Direct docking supported
|
|
E3L054643
BDB054643
|
Gsk0660
COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Nc2ccccc2)cc1OC
|
C19H18N2O5S2 418.496000 |
NDFKBGWLUHKMFY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50383373; PubChem:CID46233311
|
Local ready
Direct docking supported
|
|
E3L054644
BDB054644
|
N,1,3-triphenyl-1H-pyrazole-4-carboxamide
O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1
|
C22H17N3O 339.398000 |
RBSGMSPPHGRRJO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383812; PubChem:CID7732874
|
Local ready
Direct docking supported
|
|
E3L054645
BDB054645
|
BDBM50383813
O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
|
C22H16ClN3O 373.843000 |
BURNVDYRJIDPTD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383813; PubChem:CID7040530
|
Local ready
Direct docking supported
|
|
E3L054646
BDB054646
|
BDBM50383814
O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1
|
C22H16BrN3O 418.294000 |
JCTKBEXUMVGULL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383814; PubChem:CID1343237
|
Local ready
Direct docking supported
|
|
E3L054647
BDB054647
|
BDBM50383815
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
|
C23H19N3O2 369.424000 |
VTEGVBWCDVPAHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383815; PubChem:CID1217619
|
Local ready
Direct docking supported
|
|
E3L054648
BDB054648
|
BDBM50383816
CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
|
C24H21N3O2 383.451000 |
SHBIAEMDLKCTJP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383816; PubChem:CID7947603
|
Local ready
Direct docking supported
|
|
E3L054649
BDB054649
|
BDBM50383817
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1
|
C23H19N3O 353.425000 |
PMUYOEBZKHPOBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383817; PubChem:CID1340212
|
Local ready
Direct docking supported
|
|
E3L054650
BDB054650
|
BDBM50383818
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
|
C23H18ClN3O 387.870000 |
IASJJJIHDRASHB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383818; PubChem:CID1342673
|
Local ready
Direct docking supported
|
|
E3L054651
BDB054651
|
BDBM50383819
Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1
|
C23H18BrN3O 432.321000 |
SGYXNORAFHJWKX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383819; PubChem:CID1340986
|
Local ready
Direct docking supported
|
|
E3L054652
BDB054652
|
BDBM50383820
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2)cc1
|
C24H21N3O2 383.451000 |
BRFGLBIZGFWHSE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383820; PubChem:CID1340223
|
Local ready
Direct docking supported
|
|
E3L054653
BDB054653
|
BDBM50383821
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2)cc1
|
C23H19N3O2 369.424000 |
RPLPQQABDPFLLZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383821; PubChem:CID1206526
|
Local ready
Direct docking supported
|
|
E3L054654
BDB054654
|
BDBM50383822
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Cl)cc2)cc1
|
C23H18ClN3O2 403.869000 |
NSBMSTDGPGEQLK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383822; PubChem:CID2175921
|
Local ready
Direct docking supported
|
|
E3L054655
BDB054655
|
BDBM50383823
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(Br)cc2)cc1
|
C23H18BrN3O2 448.320000 |
GMCAPAIURGWSFF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383823; PubChem:CID1340269
|
Local ready
Direct docking supported
|
|
E3L054656
BDB054656
|
N,3-bis(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
|
C24H21N3O3 399.450000 |
XMHFVIPIPMMEIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383824; PubChem:CID23909187
|
Local ready
Direct docking supported
|
|
E3L054657
BDB054657
|
BDBM50383825
CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1
|
C25H23N3O3 413.477000 |
VFXCDBNYCFNJFY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383825; PubChem:CID70687976
|
Local ready
Direct docking supported
|
|
E3L054658
BDB054658
|
BDBM50383826
O=C(Nc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
|
C22H16ClN3O 373.843000 |
IRCVINFJSKFBDN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383826; PubChem:CID2369334
|
Local ready
Direct docking supported
|
|
E3L054659
BDB054659
|
N,3-bis(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
O=C(Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
|
C22H15Cl2N3O 408.288000 |
TYXNDEBTEIAMBT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383827; PubChem:CID70696316
|
Local ready
Direct docking supported
|
|
E3L054660
BDB054660
|
BDBM50383828
O=C(Nc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
|
C22H15BrClN3O 452.739000 |
MIQOYRMZXFSBJM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50383828; PubChem:CID2175822
|
Local ready
Direct docking supported
|