Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519884'   

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))	BDBM50519884 (CHEMBL4438380) Show SMILES OC(=O)c1ccc(NCc2c(noc2-c2cccs2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.05,-26.26,;64.89,-27.29,;65.19,-28.8,;63.42,-26.79,;62.26,-27.81,;60.8,-27.32,;60.5,-25.81,;59.03,-25.31,;57.87,-26.33,;56.41,-25.84,;55.15,-26.74,;53.91,-25.81,;54.39,-24.34,;55.95,-24.36,;56.86,-23.13,;58.4,-23.14,;58.89,-21.69,;57.66,-20.77,;56.4,-21.66,;55.13,-28.28,;56.46,-29.05,;57.79,-28.29,;56.44,-30.59,;55.1,-31.34,;53.77,-30.56,;53.79,-29.03,;52.47,-28.24,;52.49,-26.7,;51.13,-28.99,;51.13,-27.46,;61.65,-24.78,;63.11,-25.27,)| Show InChI InChI=1S/C22H14ClF3N2O3S/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(31-28-19)17-5-2-10-32-17)11-27-13-8-6-12(7-9-13)21(29)30/h1-10,27H,11H2,(H,29,30)	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	>1.00E+5	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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