Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519892'   

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))	BDBM50519892 (CHEMBL4514441) Show SMILES OC(=O)c1ccc(NCc2c(noc2-c2cccc3ccccc23)-c2c(Cl)cccc2C(F)(F)F)cc1 |(43.87,-46.35,;42.71,-47.38,;43.02,-48.89,;41.25,-46.88,;40.08,-47.91,;38.62,-47.41,;38.32,-45.9,;36.85,-45.4,;35.69,-46.42,;34.23,-45.93,;32.97,-46.83,;31.72,-45.9,;32.2,-44.43,;33.77,-44.45,;34.68,-43.22,;36.21,-43.4,;37.13,-42.17,;36.52,-40.75,;34.98,-40.58,;34.37,-39.19,;32.86,-39.02,;31.95,-40.25,;32.57,-41.65,;34.07,-41.81,;32.95,-48.37,;34.27,-49.15,;35.61,-48.39,;34.26,-50.68,;32.91,-51.44,;31.59,-50.66,;31.61,-49.12,;30.28,-48.33,;30.3,-46.8,;28.94,-49.08,;28.95,-47.56,;39.47,-44.87,;40.94,-45.36,)| Show InChI InChI=1S/C28H18ClF3N2O3/c29-23-10-4-9-22(28(30,31)32)24(23)25-21(15-33-18-13-11-17(12-14-18)27(35)36)26(37-34-25)20-8-3-6-16-5-1-2-7-19(16)20/h1-14,33H,15H2,(H,35,36)	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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