Found 348 hits with Last Name = 'locke' and Initial = 'kt' Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377310
(CHEMBL255309)Show SMILES Cc1oc(nc1CCOc1cccc(c1)C1=C(CC(O)=O)CCN(C1)C(=O)Oc1ccccc1)-c1ccccc1 |c:17| Show InChI InChI=1S/C32H30N2O6/c1-22-29(33-31(39-22)23-9-4-2-5-10-23)16-18-38-27-14-8-11-24(19-27)28-21-34(17-15-25(28)20-30(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19H,15-18,20-21H2,1H3,(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377310
(CHEMBL255309)Show SMILES Cc1oc(nc1CCOc1cccc(c1)C1=C(CC(O)=O)CCN(C1)C(=O)Oc1ccccc1)-c1ccccc1 |c:17| Show InChI InChI=1S/C32H30N2O6/c1-22-29(33-31(39-22)23-9-4-2-5-10-23)16-18-38-27-14-8-11-24(19-27)28-21-34(17-15-25(28)20-30(35)36)32(37)40-26-12-6-3-7-13-26/h2-14,19H,15-18,20-21H2,1H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377311
(CHEMBL403432)Show SMILES CC(C)COC(=O)N1CCC(CC(O)=O)=C(C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |c:14| Show InChI InChI=1S/C30H34N2O6/c1-20(2)19-37-30(35)32-14-12-24(17-28(33)34)26(18-32)23-10-7-11-25(16-23)36-15-13-27-21(3)38-29(31-27)22-8-5-4-6-9-22/h4-11,16,20H,12-15,17-19H2,1-3H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 49 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377303
(CHEMBL256142)Show SMILES CCCOC(=O)N1CCC(C(O)=O)C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)=C1 |w:9.9,c:38| Show InChI InChI=1S/C29H32N2O6/c1-3-15-36-29(34)31-14-12-25(28(32)33)23(19-31)17-21-8-7-11-24(18-21)35-16-13-26-20(2)37-27(30-26)22-9-5-4-6-10-22/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28802
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | 4 | n/a | n/a | 8.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description
For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28802
(2-{[(5-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cc(OCc2nc(oc2C)-c2ccc(Cl)cc2)ccc1F Show InChI InChI=1S/C22H20ClFN2O6/c1-13-19(25-21(32-13)14-3-5-16(23)6-4-14)12-31-17-7-8-18(24)15(9-17)10-26(11-20(27)28)22(29)30-2/h3-9H,10-12H2,1-2H3,(H,27,28) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 97 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL... |
ACS Med Chem Lett 7: 590-4 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377318
(CHEMBL257345)Show SMILES CC(C)COC(=O)N1CCC(C(O)=O)=C(CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1 |t:13| Show InChI InChI=1S/C31H36N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21H,9,12,15-20H2,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377311
(CHEMBL403432)Show SMILES CC(C)COC(=O)N1CCC(CC(O)=O)=C(C1)c1cccc(OCCc2nc(oc2C)-c2ccccc2)c1 |c:14| Show InChI InChI=1S/C30H34N2O6/c1-20(2)19-37-30(35)32-14-12-24(17-28(33)34)26(18-32)23-10-7-11-25(16-23)36-15-13-27-21(3)38-29(31-27)22-8-5-4-6-9-22/h4-11,16,20H,12-15,17-19H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377321
(CHEMBL256358)Show SMILES CC(C)COC(=O)N1CCC(C(O)=O)C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)=C1 |w:10.10,c:39| Show InChI InChI=1S/C30H34N2O6/c1-20(2)19-37-30(35)32-14-12-26(29(33)34)24(18-32)16-22-8-7-11-25(17-22)36-15-13-27-21(3)38-28(31-27)23-9-5-4-6-10-23/h4-11,17-18,20,26H,12-16,19H2,1-3H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377304
(CHEMBL401534)Show SMILES Cc1oc(nc1CCOc1cccc(CC2=CN(CCC2C(O)=O)C(=O)OCc2ccccc2)c1)-c1ccccc1 |w:20.22,t:16| Show InChI InChI=1S/C33H32N2O6/c1-23-30(34-31(41-23)26-12-6-3-7-13-26)16-18-39-28-14-8-11-25(20-28)19-27-21-35(17-15-29(27)32(36)37)33(38)40-22-24-9-4-2-5-10-24/h2-14,20-21,29H,15-19,22H2,1H3,(H,36,37) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 133 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314811
(2-((4-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClN2O6/c1-19-3-11-25(12-4-19)38-29(35)32(18-27(33)34)17-21-5-13-24(14-6-21)36-16-15-26-20(2)37-28(31-26)22-7-9-23(30)10-8-22/h3-14H,15-18H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 141 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314813
(2-((3-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClN2O6/c1-19-6-12-24(13-7-19)38-29(35)32(18-27(33)34)17-21-4-3-5-25(16-21)36-15-14-26-20(2)37-28(31-26)22-8-10-23(30)11-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 162 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377315
(CHEMBL257165)Show SMILES CC(C)COC(=O)N1CCC(C(Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1)C(O)=O |w:11.11,10.38| Show InChI InChI=1S/C30H36N2O6/c1-20(2)19-37-30(35)32-15-13-26(29(33)34)24(18-32)17-22-9-11-25(12-10-22)36-16-14-27-21(3)38-28(31-27)23-7-5-4-6-8-23/h4-12,20,24,26H,13-19H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 215 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314832
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCC2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN2O6/c1-16-22(27-24(33-16)18-8-10-19(26)11-9-18)15-32-21-7-2-4-17(12-21)13-28(14-23(29)30)25(31)34-20-5-3-6-20/h2,4,7-12,20H,3,5-6,13-15H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 228 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314812
(2-((4-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-3-11-24(12-4-18)37-28(34)31(16-26(32)33)15-20-5-13-23(14-6-20)35-17-25-19(2)36-27(30-25)21-7-9-22(29)10-8-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 248 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50150998
(((4-Methoxy-phenoxycarbonyl)-{4-[2-(5-methyl-2-phe...)Show SMILES COc1ccc(OC(=O)N(CC(O)=O)Cc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)cc1 Show InChI InChI=1S/C29H28N2O7/c1-20-26(30-28(37-20)22-6-4-3-5-7-22)16-17-36-24-10-8-21(9-11-24)18-31(19-27(32)33)29(34)38-25-14-12-23(35-2)13-15-25/h3-15H,16-19H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 250 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377318
(CHEMBL257345)Show SMILES CC(C)COC(=O)N1CCC(C(O)=O)=C(CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1 |t:13| Show InChI InChI=1S/C31H36N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21H,9,12,15-20H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 260 | n/a | 10 | n/a | n/a | 8.0 | 22 |
Bristol-Myers Squibb Company
| Assay Description
For hPPAR alpha, percentage inhibition was calculated relative to unlabeled GW2331, which was used as the active site-specific competitive binder. Fl... |
J Pharmacol Exp Ther 327: 716-26 (2008)
Article DOI: 10.1124/jpet.108.143271
BindingDB Entry DOI: 10.7270/Q2VD6WT9 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM28800
(2-{[(3-{[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-...)Show SMILES COC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C22H21ClN2O6/c1-14-19(24-21(31-14)16-6-8-17(23)9-7-16)13-30-18-5-3-4-15(10-18)11-25(12-20(26)27)22(28)29-2/h3-10H,11-13H2,1-2H3,(H,26,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377305
(CHEMBL255872)Show SMILES Cc1oc(nc1CCOc1cccc(CC2=CN(CCC2C(O)=O)c2nccc(n2)C(F)(F)F)c1)-c1ccccc1 |w:20.22,t:16| Show InChI InChI=1S/C30H27F3N4O4/c1-19-25(35-27(41-19)21-7-3-2-4-8-21)12-15-40-23-9-5-6-20(17-23)16-22-18-37(14-11-24(22)28(38)39)29-34-13-10-26(36-29)30(31,32)33/h2-10,13,17-18,24H,11-12,14-16H2,1H3,(H,38,39) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 287 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314834
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES CCCOC(=O)N(CC(O)=O)Cc1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C24H25ClN2O6/c1-3-11-31-24(30)27(14-22(28)29)13-17-5-4-6-20(12-17)32-15-21-16(2)33-23(26-21)18-7-9-19(25)10-8-18/h4-10,12H,3,11,13-15H2,1-2H3,(H,28,29) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 336 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314814
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 347 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314833
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OCC2CC2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H25ClN2O6/c1-16-22(27-24(34-16)19-7-9-20(26)10-8-19)15-32-21-4-2-3-18(11-21)12-28(13-23(29)30)25(31)33-14-17-5-6-17/h2-4,7-11,17H,5-6,12-15H2,1H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 351 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314820
(2-((3-((2-(4-fluorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H25FN2O6/c1-18-6-12-23(13-7-18)37-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)36-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 362 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314823
(2-((3-((5-methyl-2-p-tolyloxazol-4-yl)methoxy)benz...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(C)cc1 Show InChI InChI=1S/C29H28N2O6/c1-19-7-11-23(12-8-19)28-30-26(21(3)36-28)18-35-25-6-4-5-22(15-25)16-31(17-27(32)33)29(34)37-24-13-9-20(2)10-14-24/h4-15H,16-18H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 372 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314822
(2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)me...)Show SMILES COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1 Show InChI InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 375 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314819
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 384 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314831
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCCC2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H27ClN2O6/c1-17-23(28-25(34-17)19-9-11-20(27)12-10-19)16-33-22-8-4-5-18(13-22)14-29(15-24(30)31)26(32)35-21-6-2-3-7-21/h4-5,8-13,21H,2-3,6-7,14-16H2,1H3,(H,30,31) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 408 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314818
(2-((3-((2-(2-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccccc1Cl Show InChI InChI=1S/C28H25ClN2O6/c1-18-10-12-21(13-11-18)37-28(34)31(16-26(32)33)15-20-6-5-7-22(14-20)35-17-25-19(2)36-27(30-25)23-8-3-4-9-24(23)29/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 420 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314819
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 422 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50377314
(CHEMBL257164)Show SMILES CC(C)COC(=O)N1CCC(C(CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1)C(O)=O |w:11.11,10.39| Show InChI InChI=1S/C31H38N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21,25,27H,9,12,15-20H2,1-3H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 450 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314821
(2-((3-((2-(4-cyanophenyl)-5-methyloxazol-4-yl)meth...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C29H25N3O6/c1-19-6-12-24(13-7-19)38-29(35)32(17-27(33)34)16-22-4-3-5-25(14-22)36-18-26-20(2)37-28(31-26)23-10-8-21(15-30)9-11-23/h3-14H,16-18H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314826
(2-((3-((2-(4-tert-butylphenyl)-5-methyloxazol-4-yl...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C32H34N2O6/c1-21-9-15-26(16-10-21)40-31(37)34(19-29(35)36)18-23-7-6-8-27(17-23)38-20-28-22(2)39-30(33-28)24-11-13-25(14-12-24)32(3,4)5/h6-17H,18-20H2,1-5H3,(H,35,36) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 483 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314815
(2-((3-((2-(4-chlorophenyl)-4-methyloxazol-5-yl)met...)Show SMILES Cc1nc(oc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)30-27(37-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 485 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314829
(2-((3-((2-(4-isopropylphenyl)-5-methyloxazol-4-yl)...)Show SMILES CC(C)c1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1 Show InChI InChI=1S/C31H32N2O6/c1-20(2)24-10-12-25(13-11-24)30-32-28(22(4)38-30)19-37-27-7-5-6-23(16-27)17-33(18-29(34)35)31(36)39-26-14-8-21(3)9-15-26/h5-16,20H,17-19H2,1-4H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 497 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377303
(CHEMBL256142)Show SMILES CCCOC(=O)N1CCC(C(O)=O)C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)=C1 |w:9.9,c:38| Show InChI InChI=1S/C29H32N2O6/c1-3-15-36-29(34)31-14-12-25(28(32)33)23(19-31)17-21-8-7-11-24(18-21)35-16-13-26-20(2)37-27(30-26)22-9-5-4-6-10-22/h4-11,18-19,25H,3,12-17H2,1-2H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 499 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50314819
(2-((3-((2-(3-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1cccc(Cl)c1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-9-11-23(12-10-18)37-28(34)31(16-26(32)33)15-20-5-3-8-24(13-20)35-17-25-19(2)36-27(30-25)21-6-4-7-22(29)14-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314830
(2-((3-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)OC2CCCCC2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C27H29ClN2O6/c1-18-24(29-26(35-18)20-10-12-21(28)13-11-20)17-34-23-9-5-6-19(14-23)15-30(16-25(31)32)27(33)36-22-7-3-2-4-8-22/h5-6,9-14,22H,2-4,7-8,15-17H2,1H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 513 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314829
(2-((3-((2-(4-isopropylphenyl)-5-methyloxazol-4-yl)...)Show SMILES CC(C)c1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1 Show InChI InChI=1S/C31H32N2O6/c1-20(2)24-10-12-25(13-11-24)30-32-28(22(4)38-30)19-37-27-7-5-6-23(16-27)17-33(18-29(34)35)31(36)39-26-14-8-21(3)9-15-26/h5-16,20H,17-19H2,1-4H3,(H,34,35) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 526 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314824
(2-((3-((5-methyl-2-(4-(trifluoromethyl)phenyl)oxaz...)Show SMILES Cc1oc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H25F3N2O6/c1-18-6-12-23(13-7-18)40-28(37)34(16-26(35)36)15-20-4-3-5-24(14-20)38-17-25-19(2)39-27(33-25)21-8-10-22(11-9-21)29(30,31)32/h3-14H,15-17H2,1-2H3,(H,35,36) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 569 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314817
(2-((3-((2-(4-chlorophenyl)-5-methylthiazol-4-yl)me...)Show SMILES Cc1sc(nc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O5S/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)37-27(30-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 582 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314813
(2-((3-(2-(2-(4-chlorophenyl)-5-methyloxazol-4-yl)e...)Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C29H27ClN2O6/c1-19-6-12-24(13-7-19)38-29(35)32(18-27(33)34)17-21-4-3-5-25(16-21)36-15-14-26-20(2)37-28(31-26)22-8-10-23(30)11-9-22/h3-13,16H,14-15,17-18H2,1-2H3,(H,33,34) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377304
(CHEMBL401534)Show SMILES Cc1oc(nc1CCOc1cccc(CC2=CN(CCC2C(O)=O)C(=O)OCc2ccccc2)c1)-c1ccccc1 |w:20.22,t:16| Show InChI InChI=1S/C33H32N2O6/c1-23-30(34-31(41-23)26-12-6-3-7-13-26)16-18-39-28-14-8-11-25(20-28)19-27-21-35(17-15-29(27)32(36)37)33(38)40-22-24-9-4-2-5-10-24/h2-14,20-21,29H,15-19,22H2,1H3,(H,36,37) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 654 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50189566
(CHEMBL3827820)Show SMILES COC(=O)N(CC(O)=O)[C@@H](C)c1cccc(OCc2nc(oc2C)-c2ccc(Cl)cc2)c1 |r| Show InChI InChI=1S/C23H23ClN2O6/c1-14(26(12-21(27)28)23(29)30-3)17-5-4-6-19(11-17)31-13-20-15(2)32-22(25-20)16-7-9-18(24)10-8-16/h4-11,14H,12-13H2,1-3H3,(H,27,28)/t14-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 671 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company
Curated by ChEMBL
| Assay Description
Binding affinity to human GST-tagged PPAR-alpha LBD expressed in Escherichia coli BL21 (DE3) PlysS after 30 mins in presence of fluorescein ligand FL... |
ACS Med Chem Lett 7: 590-4 (2016)
Article DOI: 10.1021/acsmedchemlett.6b00033
BindingDB Entry DOI: 10.7270/Q2CR5W99 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314816
(2-((3-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)me...)Show SMILES Cc1nc(sc1COc1cccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O5S/c1-18-6-12-23(13-7-18)36-28(34)31(16-26(32)33)15-20-4-3-5-24(14-20)35-17-25-19(2)30-27(37-25)21-8-10-22(29)11-9-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 708 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377314
(CHEMBL257164)Show SMILES CC(C)COC(=O)N1CCC(C(CCc2ccc(OCCc3nc(oc3C)-c3ccccc3)cc2)C1)C(O)=O |w:11.11,10.39| Show InChI InChI=1S/C31H38N2O6/c1-21(2)20-38-31(36)33-17-15-27(30(34)35)25(19-33)12-9-23-10-13-26(14-11-23)37-18-16-28-22(3)39-29(32-28)24-7-5-4-6-8-24/h4-8,10-11,13-14,21,25,27H,9,12,15-20H2,1-3H3,(H,34,35) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 711 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor alpha
(Homo sapiens (Human)) | BDBM50314812
(2-((4-((2-(4-chlorophenyl)-5-methyloxazol-4-yl)met...)Show SMILES Cc1oc(nc1COc1ccc(CN(CC(O)=O)C(=O)Oc2ccc(C)cc2)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H25ClN2O6/c1-18-3-11-24(12-4-18)37-28(34)31(16-26(32)33)15-20-5-13-23(14-6-20)35-17-25-19(2)36-27(30-25)21-7-9-22(29)10-8-21/h3-14H,15-17H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 811 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARalpha LBD (E196-Y468) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50377321
(CHEMBL256358)Show SMILES CC(C)COC(=O)N1CCC(C(O)=O)C(Cc2cccc(OCCc3nc(oc3C)-c3ccccc3)c2)=C1 |w:10.10,c:39| Show InChI InChI=1S/C30H34N2O6/c1-20(2)19-37-30(35)32-14-12-26(29(33)34)24(18-32)16-22-8-7-11-25(17-22)36-15-13-27-21(3)38-28(31-27)23-9-5-4-6-10-23/h4-11,17-18,20,26H,12-16,19H2,1-3H3,(H,33,34) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 861 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb R&D
Curated by ChEMBL
| Assay Description
Binding affinity at human PPARalpha by fluorescence polarization |
Bioorg Med Chem Lett 18: 3545-50 (2008)
Article DOI: 10.1016/j.bmcl.2008.05.014
BindingDB Entry DOI: 10.7270/Q2RX9D04 |
More data for this
Ligand-Target Pair | |
Peroxisome proliferator-activated receptor gamma
(Homo sapiens (Human)) | BDBM50314822
(2-((3-((2-(4-methoxyphenyl)-5-methyloxazol-4-yl)me...)Show SMILES COc1ccc(cc1)-c1nc(COc2cccc(CN(CC(O)=O)C(=O)Oc3ccc(C)cc3)c2)c(C)o1 Show InChI InChI=1S/C29H28N2O7/c1-19-7-11-24(12-8-19)38-29(34)31(17-27(32)33)16-21-5-4-6-25(15-21)36-18-26-20(2)37-28(30-26)22-9-13-23(35-3)14-10-22/h4-15H,16-18H2,1-3H3,(H,32,33) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 873 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb
Curated by ChEMBL
| Assay Description
Binding affinity to human His-tagged PPARgamma LBD (Q203-Y477) expressed in Escherichia coli BL21 (DE3) by fluorescence polarization assay |
J Med Chem 53: 2854-64 (2010)
Article DOI: 10.1021/jm9016812
BindingDB Entry DOI: 10.7270/Q2B56JW0 |
More data for this
Ligand-Target Pair | |
Search and Browse
