Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519895'   

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))	BDBM50519895 (CHEMBL4435027) Show SMILES OC(=O)c1c(noc1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F |(11.48,-32.82,;10.15,-32.04,;8.82,-32.8,;10.16,-30.51,;9.15,-29.34,;9.95,-28.03,;11.45,-28.37,;11.58,-29.91,;12.91,-30.71,;12.87,-32.25,;14.2,-33.04,;15.55,-32.3,;15.57,-30.74,;14.25,-29.95,;7.61,-29.33,;6.84,-30.65,;7.6,-31.98,;5.31,-30.64,;4.55,-29.29,;5.33,-27.97,;6.86,-27.99,;7.65,-26.67,;9.18,-26.68,;6.89,-25.33,;8.41,-25.33,)| Show InChI InChI=1S/C17H9ClF3NO3/c18-11-8-4-7-10(17(19,20)21)12(11)14-13(16(23)24)15(25-22-14)9-5-2-1-3-6-9/h1-8H,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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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