Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50157931'   

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))	BDBM50157931 (2-{2-[1-(4-Methoxy-benzoyl)-2-methyl-5-trifluorome...) Show SMILES COc1ccc(cc1)C(=O)n1c(C)c(Cc2ccccc2OC(C)(C)C(O)=O)c2cc(OC(F)(F)F)ccc12 Show InChI InChI=1S/C29H26F3NO6/c1-17-22(15-19-7-5-6-8-25(19)39-28(2,3)27(35)36)23-16-21(38-29(30,31)32)13-14-24(23)33(17)26(34)18-9-11-20(37-4)12-10-18/h5-14,16H,15H2,1-4H3,(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	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibition of human Peroxisome proliferator activated receptor gamma				Bioorg Med Chem Lett 15: 357-62 (2004) Article DOI: 10.1016/j.bmcl.2004.10.068 BindingDB Entry DOI: 10.7270/Q27W6BNP
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