Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50133664'   

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))	BDBM50133664 (5-(3-{3-[4-(4-Hydroxy-cyclohexyl)-2-propyl-phenoxy...) Show SMILES CCCc1cc(ccc1OCCCOc1cccc(c1)-c1oc(=O)[nH]c1O)C1CCC(O)CC1 |(12.96,-5.23,;12.96,-3.69,;11.62,-2.92,;11.62,-1.38,;12.95,-.61,;12.95,.93,;11.6,1.7,;10.27,.93,;10.29,-.61,;8.96,-1.38,;7.61,-.61,;6.28,-1.38,;4.95,-.61,;3.62,-1.4,;2.29,-.63,;2.29,.93,;.94,1.7,;-.39,.91,;-.39,-.63,;.94,-1.4,;-1.72,-1.4,;-3.12,-.77,;-4.15,-1.91,;-5.69,-1.75,;-3.38,-3.25,;-1.87,-2.92,;-.72,-3.95,;14.28,1.7,;14.26,3.24,;15.61,4.01,;16.95,3.24,;18.28,4.01,;16.94,1.7,;15.62,.93,)| Show InChI InChI=1S/C27H33NO6/c1-2-5-20-16-19(18-8-11-22(29)12-9-18)10-13-24(20)33-15-4-14-32-23-7-3-6-21(17-23)25-26(30)28-27(31)34-25/h3,6-7,10,13,16-18,22,29-30H,2,4-5,8-9,11-12,14-15H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against human peroxisome proliferator activated receptor gamma				Bioorg Med Chem Lett 13: 3541-4 (2003) BindingDB Entry DOI: 10.7270/Q2NZ871J
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