Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50200414'   

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 (Mus musculus)	BDBM50200414 ((S)-2-(5-(3-((2-(4-methoxyphenyl)-5-methylpyrimidi...) Show SMILES COc1ccc(cc1)-c1ncc(C)c(n1)N(C)CCCOc1ccc2[C@H](CC(O)=O)CCc2c1 Show InChI InChI=1S/C27H31N3O4/c1-18-17-28-26(19-7-9-22(33-3)10-8-19)29-27(18)30(2)13-4-14-34-23-11-12-24-20(15-23)5-6-21(24)16-25(31)32/h7-12,15,17,21H,4-6,13-14,16H2,1-3H3,(H,31,32)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.01E+3	n/a	n/a	n/a	n/a
Bayer Pharmaceuticals Corporation Curated by ChEMBL					Assay Description Agonist activity at PPARgamma in mouse 3T3-L1 cells by IRBA				Bioorg Med Chem Lett 17: 1056-61 (2007) Article DOI: 10.1016/j.bmcl.2006.11.025 BindingDB Entry DOI: 10.7270/Q2CF9PR2
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