| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051681
BDB051681
|
BDBM50306508
CCC(NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
|
C34H32N2O3 516.641000 |
GAGNYMUXGIUCTR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306508; PubChem:CID46233002
|
Local ready
Direct docking supported
|
|
E3L051682
BDB051682
|
BDBM50306509
CCCc1c(SC)c2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C36H36N2O3S 576.762000 |
YWRCLPWCJQIOPK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50306509; PubChem:CID46233071
|
Local ready
Direct docking supported
|
|
E3L051683
BDB051683
|
BDBM50306510
CCCc1cc2cc(NC(=O)C(CC)c3ccccc3)ccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C35H34N2O3 530.668000 |
WRKLSZQCSKSDIC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306510; PubChem:CID46233070
|
Local ready
Direct docking supported
|
|
E3L051684
BDB051684
|
BDBM50306511
CCCc1c(SC)c2ccc(NC(=O)C(CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C36H36N2O3S 576.762000 |
ZMGXUFQMCWERPK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306511; PubChem:CID46233072
|
Local ready
Direct docking supported
|
|
E3L051685
BDB051685
|
BDBM50306512
CCC(C(=O)Nc1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
|
C34H32N2O3 516.641000 |
LZKKDOUXFIOQEM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306512; PubChem:CID46233040
|
Local ready
Direct docking supported
|
|
E3L051686
BDB051686
|
BDBM50306513
CCC(NC(=O)c1ccc2c(c1)c(SC)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
|
C34H32N2O3S 548.708000 |
CDIKORAYWDUOQC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306513; PubChem:CID46233039
|
Local ready
Direct docking supported
|
|
E3L051687
BDB051687
|
BDBM50306514
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCCCc3ccccc3)cc12
|
C34H32N2O3 516.641000 |
CBRDFXWDCHPLBG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50306514; PubChem:CID46233038
|
Local ready
Direct docking supported
|
|
E3L051688
BDB051688
|
BDBM50306515
Cc1c(C)n(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NCc3ccccc3)cc12
|
C32H28N2O3 488.587000 |
HOWMTYZTQKZIEQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50306515; PubChem:CID46233003
|
Local ready
Direct docking supported
|
|
E3L051689
BDB051689
|
BDBM50306516
CCC(NC(=O)c1ccc2c(c1)cc(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
|
C33H30N2O3 502.614000 |
CAEQBTDFYZGGNT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50306516; PubChem:CID46233001
|
Local ready
Direct docking supported
|
|
E3L051690
BDB051690
|
BDBM50306517
CCC(NC(=O)c1ccc2cc(C)n(Cc3ccc(-c4ccccc4C(=O)O)cc3)c2c1)c1ccccc1
|
C33H30N2O3 502.614000 |
IYSIDRMGJXZLKY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50306517; PubChem:CID46232960
|
Local ready
Direct docking supported
|
|
E3L051691
BDB051691
|
BDBM50306518
CCCc1nc2ccc(C(=O)NC(CC)c3ccccc3)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
|
C34H33N3O3 531.656000 |
JNILOFBNNHPODI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50306518; PubChem:CID46232959
|
Local ready
Direct docking supported
|
|
E3L051692
BDB051692
|
BDBM50306677
C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl
|
C20H15Cl2FN2O2 405.256000 |
OIOZTIQUNWLFQV-HVUAZKLTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50306677; PubChem:CID46232555
|
Local ready
Direct docking supported
|
|
E3L051693
BDB051693
|
Crizotinib
C[C@@H](Oc1cc(-c2cnn(C3CCNCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
|
C21H22Cl2FN5O 450.345000 |
KTEIFNKAUNYNJU-GFCCVEGCSA-N | O14965, O95835, P51617, Q13233, Q92630, Q9HC35 | ALK tyrosine kinase receptor, Echinoderm microtubule-associated protein-like 4, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Serine/threonine-protein kinase LATS1, Aurora kinase A, Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50306682; PubChem:CID11626560
|
Local ready
Direct docking supported
|
|
E3L051694
BDB051694
|
(R)-6-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)quinoline
C[C@@H](Oc1ccc2ncccc2c1)c1c(Cl)ccc(F)c1Cl
|
C17H12Cl2FNO 336.193000 |
DORFEDMRVQLEQT-SNVBAGLBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50306683; PubChem:CID46232443
|
Local ready
Direct docking supported
|
|
E3L051695
BDB051695
|
BDBM50306684
C[C@@H](Oc1ccc2ncc(C3CC3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl
|
C21H17Cl2FN2O2 419.283000 |
QACCVOJRKKIYFM-SFNBMPIDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50306684; PubChem:CID46232556
|
Local ready
Direct docking supported
|
|
E3L051696
BDB051696
|
BDBM50306874
O=C1Nc2cc3c(O)cccc3c3c4c(cc1c23)OCO4
|
C16H9NO4 279.251000 |
OVACCXPNQSWBBB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50306874; PubChem:CID158883
|
Local ready
Direct docking supported
|
|
E3L051697
BDB051697
|
4,6-dimethoxy-3-methyl-1H-pyrazolo[3,4-b]quinoline
COc1ccc2nc3[nH]nc(C)c3c(OC)c2c1
|
C13H13N3O2 243.266000 |
AWSLSQGTMWLKRH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50306888; PubChem:CID46232590
|
Local ready
Direct docking supported
|
|
E3L051698
BDB051698
|
BDBM50307506
Cn1nc(C(N)=O)c2c1-c1nc(NC3CCN(C(=O)c4ccccc4)CC3)ncc1CC2
|
C23H25N7O2 431.500000 |
DIASEXMEBNQQHZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307506; PubChem:CID45139991
|
Local ready
Direct docking supported
|
|
E3L051699
BDB051699
|
BDBM50307507
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2
|
C24H34N8O4S 530.655000 |
KOLSEKSFVMGHDV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307507; PubChem:CID46233287
|
Local ready
Direct docking supported
|
|
E3L051700
BDB051700
|
BDBM50307508
CN(O)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
|
C17H22N6O2 342.403000 |
GMMJFFFHKSLXFV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50307508; PubChem:CID45139427
|
Local ready
Direct docking supported
|