Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50010950   

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 alpha (Homo sapiens (Human))	BDBM50100441 (CHEMBL294807 | {4-[2-(5-Methyl-2-phenyl-oxazol-4-y...) Show SMILES Cc1oc(nc1CCOc1ccc(OCC(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C20H19NO5/c1-14-18(21-20(26-14)15-5-3-2-4-6-15)11-12-24-16-7-9-17(10-8-16)25-13-19(22)23/h2-10H,11-13H2,1H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50100442 (2-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-eth...) Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	150	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50100443 (2-Methyl-2-{4-[2-(5-methyl-2-phenyl-oxazol-4-yl)-e...) Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H23NO5/c1-15-19(23-20(27-15)16-7-5-4-6-8-16)13-14-26-17-9-11-18(12-10-17)28-22(2,3)21(24)25/h4-12H,13-14H2,1-3H3,(H,24,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	717	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50100445 (2-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-ph...) Show SMILES CC(Oc1ccc(OCCc2nc(oc2C)-c2ccccc2)cc1)C(O)=O Show InChI InChI=1S/C21H21NO5/c1-14-19(22-20(27-14)16-6-4-3-5-7-16)12-13-25-17-8-10-18(11-9-17)26-15(2)21(23)24/h3-11,15H,12-13H2,1-2H3,(H,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	625	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50075315 (5-(2,4-Dioxo-thiazolidin-5-ylmethyl)-2-methoxy-N-(...) Show SMILES COc1ccc(Cc2sc(=O)[nH]c2O)cc1C(=O)NCc1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C20H17F3N2O4S/c1-29-15-7-4-12(9-16-18(27)25-19(28)30-16)8-14(15)17(26)24-10-11-2-5-13(6-3-11)20(21,22)23/h2-8,27H,9-10H2,1H3,(H,24,26)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	n/a	n/a	922	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50064451 (5-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-be...) Show SMILES Cc1oc(nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)cc1)-c1ccccc1 Show InChI InChI=1S/C22H20N2O4S/c1-14-18(23-21(28-14)16-5-3-2-4-6-16)11-12-27-17-9-7-15(8-10-17)13-19-20(25)24-22(26)29-19/h2-10,25H,11-13H2,1H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	771	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50100444 (2-(4-{2-[2-(4-Bromo-phenyl)-5-methyl-oxazol-4-yl]-...) Show SMILES Cc1oc(nc1CCOc1ccc(OC(C)(C)C(O)=O)cc1)-c1ccc(Br)cc1 Show InChI InChI=1S/C22H22BrNO5/c1-14-19(24-20(28-14)15-4-6-16(23)7-5-15)12-13-27-17-8-10-18(11-9-17)29-22(2,3)21(25)26/h4-11H,12-13H2,1-3H3,(H,25,26)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	61.9	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human PPAR alpha				J Med Chem 44: 2061-4 (2001) BindingDB Entry DOI: 10.7270/Q2DZ07KH
					More data for this Ligand-Target Pair