Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for assayid = 18 entry = 50030297   

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))	BDBM50293846 ((+)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluo...) Show SMILES CC[C@@](C)(Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r| Show InChI InChI=1S/C29H25ClF3NO5/c1-4-28(3,27(36)37)38-21-7-5-6-18(14-21)16-34-17(2)25(26(35)19-8-10-20(30)11-9-19)23-13-12-22(15-24(23)34)39-29(31,32)33/h5-15H,4,16H2,1-3H3,(H,36,37)/t28-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	764	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50085042 (2-(4-(4-Chlorobenzoyl)phenoxy)-2-methylpropanoic a...) Show SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50244809 ((2R)-2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) Show SMILES C[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r| Show InChI InChI=1S/C27H21ClF3NO5/c1-15-24(25(33)18-6-8-19(28)9-7-18)22-11-10-21(37-27(29,30)31)13-23(22)32(15)14-17-4-3-5-20(12-17)36-16(2)26(34)35/h3-13,16H,14H2,1-2H3,(H,34,35)/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50293854 (2-(3-((1-(4-chlorobenzoyl)-2-methyl-5-(trifluorome...) Show SMILES Cc1c(Cc2cccc(OCC(O)=O)c2)c2cc(OC(F)(F)F)ccc2n1C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H19ClF3NO5/c1-15-21(12-16-3-2-4-19(11-16)35-14-24(32)33)22-13-20(36-26(28,29)30)9-10-23(22)31(15)25(34)17-5-7-18(27)8-6-17/h2-11,13H,12,14H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50293853 (2-[3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(trifluorome...) Show SMILES Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(OCC(O)=O)c1 Show InChI InChI=1S/C26H19ClF3NO5/c1-15-24(25(34)17-5-7-18(27)8-6-17)21-10-9-20(36-26(28,29)30)12-22(21)31(15)13-16-3-2-4-19(11-16)35-14-23(32)33/h2-12H,13-14H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor alpha (Homo sapiens (Human))	BDBM50293850 ((2S)-2-{3-[[3-(4-Chlorobenzoyl)-2-methyl-6-(triflu...) Show SMILES CCC[C@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc23)c1)C(O)=O |r| Show InChI InChI=1S/C29H25ClF3NO5/c1-3-5-25(28(36)37)38-21-7-4-6-18(14-21)16-34-17(2)26(27(35)19-8-10-20(30)11-9-19)23-13-12-22(15-24(23)34)39-29(31,32)33/h4,6-15,25H,3,5,16H2,1-2H3,(H,36,37)/t25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human PPARalpha receptor by scintillation proximity assay				J Med Chem 52: 4443-53 (2009) Article DOI: 10.1021/jm900367w BindingDB Entry DOI: 10.7270/Q2028RK2
					More data for this Ligand-Target Pair