| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052521
BDB052521
|
BDBM50319274
CC(C)(Oc1ccc(CN(CC(=O)Nc2ccccn2)Cc2ccco2)cc1)C(=O)O
|
C23H25N3O5 423.469000 |
AIQGGWZPGKNVFO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319274; PubChem:CID46890510
|
Local ready
Direct docking supported
|
|
E3L052522
BDB052522
|
BDBM50319275
CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2)Cc2ccco2)cc1)C(=O)O
|
C25H28N2O5 436.508000 |
OJQFXZXJQWMGHN-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319275; PubChem:CID46890511
|
Local ready
Direct docking supported
|
|
E3L052523
BDB052523
|
BDBM50319276
CC(C)(Oc1ccc(CN(CC(=O)NCc2ccccc2Cl)Cc2ccco2)cc1)C(=O)O
|
C25H27ClN2O5 470.953000 |
BYHKEKPNCXTVHL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50319276; PubChem:CID46890512
|
Local ready
Direct docking supported
|
|
E3L052524
BDB052524
|
BDBM50319569
CNc1nccc(-c2cccnc2Oc2ccc(NC(=O)NC(C)(C)C)c3ccccc23)n1
|
C25H26N6O2 442.523000 |
OKKAENUKIYEBBD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319569; PubChem:CID46890314
|
Local ready
Direct docking supported
|
|
E3L052525
BDB052525
|
BDBM50319570
CCNC(=O)Nc1ccc(Oc2ncccc2-c2ccnc(NC)n2)c2ccccc12
|
C23H22N6O2 414.469000 |
RETUSTLIJKZUGV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319570; PubChem:CID46890315
|
Local ready
Direct docking supported
|
|
E3L052526
BDB052526
|
BDBM50319571
CCN1CCC(CNc2nccc(-c3cccnc3Oc3ccc(Nc4nc5ccccc5[nH]4)c4ccccc34)n2)CC1
|
C34H34N8O 570.701000 |
QSIAXFKUFXOHHK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319571; PubChem:CID46890253
|
Local ready
Direct docking supported
|
|
E3L052527
BDB052527
|
BDBM50319572
CN1CCCC1CCNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
|
C33H32N8O 556.674000 |
SBSYQSASKXLENU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319572; PubChem:CID24983299
|
Local ready
Direct docking supported
|
|
E3L052528
BDB052528
|
BDBM50319573
CN(C)CC(C)(C)CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccccc4[nH]3)c3ccccc23)n1
|
C33H34N8O 558.690000 |
NMULSNNATHYGPZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319573; PubChem:CID46890254
|
Local ready
Direct docking supported
|
|
E3L052529
BDB052529
|
BDBM50319574
CNc1nccc(-c2cccnc2Oc2ccc(Nc3nc4ccncc4[nH]3)c3ccccc23)n1
|
C26H20N8O 460.501000 |
QHQWGJPISLNJMT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319574; PubChem:CID24983298
|
Local ready
Direct docking supported
|
|
E3L052530
BDB052530
|
BDBM50319615
CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)n2)s1
|
C21H25N7OS 423.546000 |
QLNAEPZXTGNWCX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319615; PubChem:CID10320107
|
Local ready
Direct docking supported
|
|
E3L052531
BDB052531
|
BDBM50319616
CC(=O)N1CCN(c2ccc(Nc3nccc(-c4sc(N)nc4C)n3)cc2)CC1
|
C20H23N7OS 409.519000 |
ZBYYPNTVDDUJTC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319616; PubChem:CID46830768
|
Local ready
Direct docking supported
|
|
E3L052532
BDB052532
|
BDBM50319617
CCNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
|
C20H24N6OS 396.520000 |
KBXAGBWPAVTLBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319617; PubChem:CID10340715
|
Local ready
Direct docking supported
|
|
E3L052533
BDB052533
|
BDBM50319618
CNc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
|
C19H22N6OS 382.493000 |
KLIUCXHHFFVGMK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319618; PubChem:CID10430000
|
Local ready
Direct docking supported
|
|
E3L052534
BDB052534
|
BDBM50319619
Cc1nc(C)c(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)s1
|
C19H21N5OS 367.478000 |
WIFHQQKDNLBDGL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319619; PubChem:CID10248401
|
Local ready
Direct docking supported
|
|
E3L052535
BDB052535
|
BDBM50319620
CCNc1nc(C)c(-c2ccnc(Nc3ccc(CNC(C)=O)cc3)n2)s1
|
C19H22N6OS 382.493000 |
VEJCMMPVTMQFME-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319620; PubChem:CID11646645
|
Local ready
Direct docking supported
|
|
E3L052536
BDB052536
|
BDBM50319621
CCNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1
|
C19H23N5O3S 401.492000 |
LNGVCHKMQJKHDR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319621; PubChem:CID11647020
|
Local ready
Direct docking supported
|
|
E3L052537
BDB052537
|
BDBM50319622
CNc1nc(C)c(-c2ccnc(Nc3cc(OC)c(OC)c(OC)c3)n2)s1
|
C18H21N5O3S 387.465000 |
OTACRQCAOBRLAZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319622; PubChem:CID11718021
|
Local ready
Direct docking supported
|
|
E3L052538
BDB052538
|
BDBM50319623
COc1cc(Nc2nccc(-c3sc(C)nc3C)n2)cc(OC)c1OC
|
C18H20N4O3S 372.450000 |
WOHBHEXSHHPQIV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319623; PubChem:CID11632150
|
Local ready
Direct docking supported
|
|
E3L052539
BDB052539
|
BDBM50319624
Cc1nc(C)c(-c2ccnc(Nc3ccc(N)cc3)n2)s1
|
C15H15N5S 297.387000 |
DGGKOQYFPRMYAH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319624; PubChem:CID46830767
|
Local ready
Direct docking supported
|
|
E3L052540
BDB052540
|
BDBM50319625
CNc1ccc(Nc2nccc(-c3sc(C)nc3C)n2)cc1
|
C16H17N5S 311.414000 |
BFNPREZASZQRTJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50319625; PubChem:CID46830766
|
Local ready
Direct docking supported
|