Compile Data Set for Download or QSAR

Found 251 hits with Last Name = 'devasthale' and Initial = 'pv'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50287776 (CHEMBL304545 | {(R)-1-[(S)-(S)-1-Benzyl-5-(2-benzy...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@H](CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C45H56N4O7/c1-31(2)40(48-44(53)55-29-35-21-13-7-14-22-35)42(51)46-37(27-33-17-9-5-10-18-33)25-26-39(50)38(28-34-19-11-6-12-20-34)47-43(52)41(32(3)4)49-45(54)56-30-36-23-15-8-16-24-36/h5-24,31-32,37-41,50H,25-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t37-,38+,39+,40?,41?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV protease				Bioorg Med Chem Lett 6: 2201-2206 (1996) Article DOI: 10.1016/0960-894X(96)00392-7 BindingDB Entry DOI: 10.7270/Q2125SP0
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM199 ((2S)-N-[(2S,3R,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES CC(C)[C@H](NC(=O)N(C)Cc1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@H](O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)N(C)Cc1ccccn1)C(C)C |r| Show InChI InChI=1S/C44H58N8O6/c1-29(2)37(49-43(57)51(5)27-33-21-13-15-23-45-33)41(55)47-35(25-31-17-9-7-10-18-31)39(53)40(54)36(26-32-19-11-8-12-20-32)48-42(56)38(30(3)4)50-44(58)52(6)28-34-22-14-16-24-46-34/h7-24,29-30,35-40,53-54H,25-28H2,1-6H3,(H,47,55)(H,48,56)(H,49,57)(H,50,58)/t35-,36-,37-,38-,39-,40+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article	n/a	n/a	>1	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV protease				Bioorg Med Chem Lett 6: 2201-2206 (1996) Article DOI: 10.1016/0960-894X(96)00392-7 BindingDB Entry DOI: 10.7270/Q2125SP0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50287778 (CHEMBL73308 | Diaminoalcohol analogue) Show SMILES O[C@@H](CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1)[C@H](Cc1ccccc1)NC(=O)c1ccccc1NC(=O)OCc1ccccn1 Show InChI InChI=1S/C47H46N6O7/c54-43(42(30-34-17-5-2-6-18-34)51-45(56)39-22-8-10-24-41(39)53-47(58)60-32-37-20-12-14-28-49-37)26-25-35(29-33-15-3-1-4-16-33)50-44(55)38-21-7-9-23-40(38)52-46(57)59-31-36-19-11-13-27-48-36/h1-24,27-28,35,42-43,54H,25-26,29-32H2,(H,50,55)(H,51,56)(H,52,57)(H,53,58)/t35-,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV protease				Bioorg Med Chem Lett 6: 2201-2206 (1996) Article DOI: 10.1016/0960-894X(96)00392-7 BindingDB Entry DOI: 10.7270/Q2125SP0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205086 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cccc3ccccc23)c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)26-11-3-2-4-12-26)17-18-37-28-15-7-9-24(19-28)20-34(22-31(35)36)21-27-14-8-13-25-10-5-6-16-29(25)27/h2-16,19H,17-18,20-22H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205080 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CCCc2ccccc2)CC(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C30H32N2O4/c1-23-28(31-30(36-23)26-14-6-3-7-15-26)17-19-35-27-16-8-12-25(20-27)21-32(22-29(33)34)18-9-13-24-10-4-2-5-11-24/h2-8,10-12,14-16,20H,9,13,17-19,21-22H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205086 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cccc3ccccc23)c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)26-11-3-2-4-12-26)17-18-37-28-15-7-9-24(19-28)20-34(22-31(35)36)21-27-14-8-13-25-10-5-6-16-29(25)27/h2-16,19H,17-18,20-22H2,1H3,(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205081 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CCc2ccccc2)CC(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O4/c1-22-27(30-29(35-22)25-12-6-3-7-13-25)16-18-34-26-14-8-11-24(19-26)20-31(21-28(32)33)17-15-23-9-4-2-5-10-23/h2-14,19H,15-18,20-21H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205089 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cccc(Oc3ccccc3)c2)c1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-12-4-2-5-13-28)18-19-39-30-16-8-10-26(20-30)22-36(24-33(37)38)23-27-11-9-17-31(21-27)41-29-14-6-3-7-15-29/h2-17,20-21H,18-19,22-24H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205072 (2-((3-phenoxybenzyl)(4-(2-(5-methyl-2-phenyloxazol...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2cccc(Oc3ccccc3)c2)cc1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-10-4-2-5-11-28)19-20-39-29-17-15-26(16-18-29)22-36(24-33(37)38)23-27-9-8-14-31(21-27)41-30-12-6-3-7-13-30/h2-18,21H,19-20,22-24H2,1H3,(H,37,38)	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 Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205075 (2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H27N3O4/c1-20-25(29-27(34-20)22-7-3-2-4-8-22)14-16-33-24-12-10-21(11-13-24)17-30(19-26(31)32)18-23-9-5-6-15-28-23/h2-13,15H,14,16-19H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205088 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-12-6-3-7-13-24)15-16-33-25-14-8-11-23(17-25)19-30(20-27(31)32)18-22-9-4-2-5-10-22/h2-14,17H,15-16,18-20H2,1H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205079 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc(Oc3ccccc3)cc2)c1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-10-4-2-5-11-28)19-20-39-31-14-8-9-27(21-31)23-36(24-33(37)38)22-26-15-17-30(18-16-26)41-29-12-6-3-7-13-29/h2-18,21H,19-20,22-24H2,1H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205089 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cccc(Oc3ccccc3)c2)c1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-12-4-2-5-13-28)18-19-39-30-16-8-10-26(20-30)22-36(24-33(37)38)23-27-11-9-17-31(21-27)41-29-14-6-3-7-15-29/h2-17,20-21H,18-19,22-24H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205081 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CCc2ccccc2)CC(O)=O)c1)-c1ccccc1 Show InChI InChI=1S/C29H30N2O4/c1-22-27(30-29(35-22)25-12-6-3-7-13-25)16-18-34-26-14-8-11-24(19-26)20-31(21-28(32)33)17-15-23-9-4-2-5-10-23/h2-14,19H,15-18,20-21H2,1H3,(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	134	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205074 (2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2cccc3ccccc23)cc1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)26-9-3-2-4-10-26)18-19-37-28-16-14-24(15-17-28)20-34(22-31(35)36)21-27-12-7-11-25-8-5-6-13-29(25)27/h2-17H,18-22H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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))	BDBM50205078 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc3ccccc3c2)c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)27-10-3-2-4-11-27)16-17-37-29-13-7-8-24(19-29)20-34(22-31(35)36)21-25-14-15-26-9-5-6-12-28(26)18-25/h2-15,18-19H,16-17,20-22H2,1H3,(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	145	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205078 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc3ccccc3c2)c1)-c1ccccc1 Show InChI InChI=1S/C32H30N2O4/c1-23-30(33-32(38-23)27-10-3-2-4-11-27)16-17-37-29-13-7-8-24(19-29)20-34(22-31(35)36)21-25-14-15-26-9-5-6-12-28(26)18-25/h2-15,18-19H,16-17,20-22H2,1H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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 gamma (Homo sapiens (Human))	BDBM50205083 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc(OCc3ccccc3)cc2)c1)-c1ccccc1 Show InChI InChI=1S/C35H34N2O5/c1-26-33(36-35(42-26)30-12-6-3-7-13-30)19-20-40-32-14-8-11-29(21-32)23-37(24-34(38)39)22-27-15-17-31(18-16-27)41-25-28-9-4-2-5-10-28/h2-18,21H,19-20,22-25H2,1H3,(H,38,39)	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	183	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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	190	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human Peroxisome proliferator activated receptor gamma				J Med Chem 48: 2248-50 (2005) Article DOI: 10.1021/jm0496436 BindingDB Entry DOI: 10.7270/Q2SX6CRR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50287774 (CHEMBL71514 | {(R)-1-[(S)-(R)-1-Benzyl-5-(2-benzyl...) Show SMILES CC(C)C(NC(=O)OCc1ccccc1)C(=O)N[C@H](CC[C@@H](O)[C@H](Cc1ccccc1)NC(=O)C(NC(=O)OCc1ccccc1)C(C)C)Cc1ccccc1 Show InChI InChI=1S/C45H56N4O7/c1-31(2)40(48-44(53)55-29-35-21-13-7-14-22-35)42(51)46-37(27-33-17-9-5-10-18-33)25-26-39(50)38(28-34-19-11-6-12-20-34)47-43(52)41(32(3)4)49-45(54)56-30-36-23-15-8-16-24-36/h5-24,31-32,37-41,50H,25-30H2,1-4H3,(H,46,51)(H,47,52)(H,48,53)(H,49,54)/t37-,38+,39-,40?,41?/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV protease				Bioorg Med Chem Lett 6: 2201-2206 (1996) Article DOI: 10.1016/0960-894X(96)00392-7 BindingDB Entry DOI: 10.7270/Q2125SP0
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085044 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	217	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205073 (2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc(Oc3ccccc3)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-8-4-2-5-9-28)20-21-39-29-16-12-26(13-17-29)22-36(24-33(37)38)23-27-14-18-31(19-15-27)41-30-10-6-3-7-11-30/h2-19H,20-24H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	227	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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))	BDBM50205079 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc(Oc3ccccc3)cc2)c1)-c1ccccc1 Show InChI InChI=1S/C34H32N2O5/c1-25-32(35-34(40-25)28-10-4-2-5-11-28)19-20-39-31-14-8-9-27(21-31)23-36(24-33(37)38)22-26-15-17-30(18-16-26)41-29-12-6-3-7-13-29/h2-18,21H,19-20,22-24H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205088 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccccc2)c1)-c1ccccc1 Show InChI InChI=1S/C28H28N2O4/c1-21-26(29-28(34-21)24-12-6-3-7-13-24)15-16-33-25-14-8-11-23(17-25)19-30(20-27(31)32)18-22-9-4-2-5-10-22/h2-14,17H,15-16,18-20H2,1H3,(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50205076 (2-(((1H-indol-2-yl)methyl)(3-(2-(5-methyl-2-phenyl...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2cc3ccccc3[nH]2)c1)-c1ccccc1 Show InChI InChI=1S/C30H29N3O4/c1-21-27(32-30(37-21)23-9-3-2-4-10-23)14-15-36-26-12-7-8-22(16-26)18-33(20-29(34)35)19-25-17-24-11-5-6-13-28(24)31-25/h2-13,16-17,31H,14-15,18-20H2,1H3,(H,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	246	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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 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	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human Peroxisome proliferator activated receptor alpha				J Med Chem 48: 2248-50 (2005) Article DOI: 10.1021/jm0496436 BindingDB Entry DOI: 10.7270/Q2SX6CRR
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human Peroxisome proliferator activated receptor gamma				J Med Chem 48: 2248-50 (2005) Article DOI: 10.1021/jm0496436 BindingDB Entry DOI: 10.7270/Q2SX6CRR
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28681 (5-[(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}phenyl)...) Show SMILES CN(CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,22H,10-12H2,1H3,(H,20,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	256	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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 gamma (Homo sapiens (Human))	BDBM50205087 (2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc(o2)-c2ccccc2Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C32H29ClN2O5/c1-22-29(34-32(39-22)24-7-3-2-4-8-24)17-18-38-25-13-11-23(12-14-25)19-35(21-31(36)37)20-26-15-16-30(40-26)27-9-5-6-10-28(27)33/h2-16H,17-21H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50205085 (2-((4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1ccc(CN(CC(O)=O)Cc2ccc(OCc3ccccc3)cc2)cc1)-c1ccccc1 Show InChI InChI=1S/C35H34N2O5/c1-26-33(36-35(42-26)30-10-6-3-7-11-30)20-21-40-31-16-12-27(13-17-31)22-37(24-34(38)39)23-28-14-18-32(19-15-28)41-25-29-8-4-2-5-9-29/h2-19H,20-25H2,1H3,(H,38,39)	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	284	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARgamma receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM28680 (2-[4-(2-{[(2,4-difluorophenyl)carbamoyl](heptyl)am...) Show SMILES CCCCCCCN(CCc1ccc(OC(C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human Peroxisome proliferator activated receptor gamma				J Med Chem 48: 2248-50 (2005) Article DOI: 10.1021/jm0496436 BindingDB Entry DOI: 10.7270/Q2SX6CRR
					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))	BDBM50205090 ((2S)-2-(4-[2-(3-[2,4-DIFLUOROPHENYL]-1-HEPTYLUREID...) Show SMILES CCCCCCCN(CCc1ccc(O[C@@](C)(CC)C(O)=O)cc1)C(=O)Nc1ccc(F)cc1F Show InChI InChI=1S/C27H36F2N2O4/c1-4-6-7-8-9-17-31(26(34)30-24-15-12-21(28)19-23(24)29)18-16-20-10-13-22(14-11-20)35-27(3,5-2)25(32)33/h10-15,19H,4-9,16-18H2,1-3H3,(H,30,34)(H,32,33)/t27-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					More data for this Ligand-Target Pair
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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50287775 (((1R,4S,5S)-1-Benzyl-5-tert-butoxycarbonylamino-4-...) Show SMILES CC(C)(C)OC(=O)N[C@H](CC[C@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc1ccccc1 Show InChI InChI=1S/C29H42N2O5/c1-28(2,3)35-26(33)30-23(19-21-13-9-7-10-14-21)17-18-25(32)24(20-22-15-11-8-12-16-22)31-27(34)36-29(4,5)6/h7-16,23-25,32H,17-20H2,1-6H3,(H,30,33)(H,31,34)/t23-,24+,25+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for the inhibition of HIV protease				Bioorg Med Chem Lett 6: 2201-2206 (1996) Article DOI: 10.1016/0960-894X(96)00392-7 BindingDB Entry DOI: 10.7270/Q2125SP0
					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))	BDBM50205083 (2-((3-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benz...) Show SMILES Cc1oc(nc1CCOc1cccc(CN(CC(O)=O)Cc2ccc(OCc3ccccc3)cc2)c1)-c1ccccc1 Show InChI InChI=1S/C35H34N2O5/c1-26-33(36-35(42-26)30-12-6-3-7-13-30)19-20-40-32-14-8-11-29(21-32)23-37(24-34(38)39)22-27-15-17-31(18-16-27)41-25-28-9-4-2-5-10-28/h2-18,21H,19-20,22-25H2,1H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	387	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of fluorescein labeled ligand from PPARalpha receptor by fluorescence polarization assay				Bioorg Med Chem Lett 17: 2312-6 (2007) Article DOI: 10.1016/j.bmcl.2007.01.060 BindingDB Entry DOI: 10.7270/Q21N80ST
					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))	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

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