| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053541
BDB053541
|
BDBM50349106
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(C(=O)N4CCC[C@@H]4CN4CCCC4)cc3OC(F)(F)F)nc1-2
|
C38H43F3N8O3 716.809000 |
WZZWJWWPQJVGAJ-HHHXNRCGSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50349106
|
Local ready
Direct docking supported
|
|
E3L053542
BDB053542
|
BDBM50349107
Cn1nc(C(=O)NCCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C25H24N6O 424.508000 |
AOWRNBGAGSLHKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349107; PubChem:CID56676833
|
Local ready
Direct docking supported
|
|
E3L053543
BDB053543
|
BDBM50349443
CCCCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1
|
C21H23ClN2O3S3 483.080000 |
ZUXZKZCYIPMAJX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349443; PubChem:CID53380705
|
Local ready
Direct docking supported
|
|
E3L053544
BDB053544
|
BDBM50349444
CCCC(Sc1nc2ccc(OCC)cc2s1)C(=O)NS(=O)(=O)c1ccccc1
|
C20H22N2O4S3 450.607000 |
JIULGMLVCCXVLC-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349444; PubChem:CID56676845
|
Local ready
Direct docking supported
|
|
E3L053545
BDB053545
|
BDBM50349445
CCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1
|
C18H17ClN2O3S3 440.999000 |
YCXCACWPVAVBCB-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349445; PubChem:CID53380805
|
Local ready
Direct docking supported
|
|
E3L053546
BDB053546
|
BDBM50349446
CC(C)C(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1
|
C18H17ClN2O3S3 440.999000 |
CNCBRXVUTZRPQU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349446; PubChem:CID56673531
|
Local ready
Direct docking supported
|
|
E3L053547
BDB053547
|
BDBM50349447
CCCCC(Sc1nc2cc(Cl)ccc2s1)C(=O)NS(=O)(=O)c1ccccc1
|
C19H19ClN2O3S3 455.026000 |
VXSIFSMRYRVXND-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349447; PubChem:CID53380806
|
Local ready
Direct docking supported
|
|
E3L053548
BDB053548
|
BDBM50349448
O=C(NS(=O)(=O)c1ccccc1)C(Sc1nc2cc(Cl)ccc2s1)c1ccccc1
|
C21H15ClN2O3S3 475.016000 |
HQBQTZGFLQRGDX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349448; PubChem:CID53380706
|
Local ready
Direct docking supported
|
|
E3L053549
BDB053549
|
BDBM50349807
CCO[C@@H](Cc1ccc(OCc2nc(-c3cccs3)oc2C)cc1)C(=O)O
|
C20H21NO5S 387.457000 |
XVMBSQQFBULZPM-KRWDZBQOSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349807; PubChem:CID56659347
|
Local ready
Direct docking supported
|
|
E3L053550
BDB053550
|
BDBM50349808
CCO[C@@H](Cc1ccc(OCc2nc(-c3sccc3C)oc2C)cc1)C(=O)O
|
C21H23NO5S 401.484000 |
GJPAJPKOSWXVGX-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349808; PubChem:CID56679849
|
Local ready
Direct docking supported
|
|
E3L053551
BDB053551
|
BDBM50349809
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)O
|
C21H23NO5S 401.484000 |
FUFHOCLTOXNJGX-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349809; PubChem:CID56659348
|
Local ready
Direct docking supported
|
|
E3L053552
BDB053552
|
BDBM50349810
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1)C(=O)O
|
C26H25NO5S 463.555000 |
LNIOFPVZPXQLEB-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349810; PubChem:CID56676523
|
Local ready
Direct docking supported
|
|
E3L053553
BDB053553
|
BDBM50349811
CCO[C@@H](Cc1ccc(OCCc2nc(-c3cccs3)oc2C)cc1)C(=O)O
|
C21H23NO5S 401.484000 |
MDURWMBTDAVDFG-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349811; PubChem:CID56669689
|
Local ready
Direct docking supported
|
|
E3L053554
BDB053554
|
BDBM50349812
CCO[C@@H](Cc1ccc(OCCc2nc(-c3sccc3C)oc2C)cc1)C(=O)O
|
C22H25NO5S 415.511000 |
QCHCMMQOWAXIGU-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349812; PubChem:CID56669690
|
Local ready
Direct docking supported
|
|
E3L053555
BDB053555
|
BDBM50349813
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C)s3)oc2C)cc1)C(=O)O
|
C22H25NO5S 415.511000 |
KACYCSASEXQENA-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349813; PubChem:CID53233135
|
Local ready
Direct docking supported
|
|
E3L053556
BDB053556
|
BDBM50349814
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1)C(=O)O
|
C27H27NO5S 477.582000 |
QFQGNTDOAIPHRN-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349814; PubChem:CID56673196
|
Local ready
Direct docking supported
|
|
E3L053557
BDB053557
|
BDBM50349815
CCO[C@@H](Cc1ccc(OCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O
|
C20H21NO5S 387.457000 |
NQPYHPFPNFPOHN-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349815; PubChem:CID56669688
|
Local ready
Direct docking supported
|
|
E3L053558
BDB053558
|
BDBM50349816
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccsc3)oc2C)cc1)C(=O)O
|
C21H23NO5S 401.484000 |
PGBLXKBJIYYRGZ-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349816; PubChem:CID56679850
|
Local ready
Direct docking supported
|
|
E3L053559
BDB053559
|
BDBM50349830
CCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@H](CC)C(=O)O)cc1
|
C30H31NO5 485.580000 |
ZPSPDBLGNWMFEX-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349830; PubChem:CID56659334
|
Local ready
Direct docking supported
|
|
E3L053560
BDB053560
|
BDBM50349831
CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@@H](CC)C(=O)O)cc1
|
C29H29NO5 471.553000 |
PMFWRAGPLVIDGB-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349831; PubChem:CID56659333
|
Local ready
Direct docking supported
|