Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519879'   

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))	BDBM50519879 (CHEMBL4574983) Show SMILES OC(=O)Cc1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(69.68,-30.44,;70.44,-29.1,;71.98,-29.09,;69.67,-27.77,;68.13,-27.78,;67.37,-29.1,;65.84,-29.11,;65.08,-27.79,;63.56,-27.79,;62.8,-29.12,;63.57,-30.43,;61.28,-29.12,;60,-30,;58.78,-29.05,;59.29,-27.59,;60.84,-27.64,;61.79,-26.41,;63.32,-26.61,;64.26,-25.39,;63.68,-23.95,;62.13,-23.75,;61.19,-24.97,;60.02,-31.54,;61.37,-32.29,;62.69,-31.5,;61.39,-33.83,;60.05,-34.62,;58.72,-33.86,;58.7,-32.32,;57.36,-31.57,;57.34,-30.05,;56.04,-32.34,;56.03,-30.8,;65.83,-26.47,;67.35,-26.45,)| Show InChI InChI=1S/C25H16ClF3N2O4/c26-18-8-4-7-17(25(27,28)29)20(18)22-21(23(35-31-22)15-5-2-1-3-6-15)24(34)30-16-11-9-14(10-12-16)13-19(32)33/h1-12H,13H2,(H,30,34)(H,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced N-terminal biotinylated co-act...				J Med Chem 63: 241-259 (2020) Article DOI: 10.1021/acs.jmedchem.9b01372 BindingDB Entry DOI: 10.7270/Q2XP78BB
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