Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519885'   

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))	BDBM50519885 (CHEMBL4469931) Show SMILES OC(=O)c1ccc(NCc2c(noc2-c2ccco2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(42.15,-26.31,;40.99,-27.34,;41.3,-28.85,;39.53,-26.84,;38.36,-27.87,;36.9,-27.38,;36.6,-25.86,;35.14,-25.36,;33.98,-26.39,;32.51,-25.9,;31.26,-26.79,;30.01,-25.87,;30.49,-24.4,;32.05,-24.41,;32.97,-23.18,;34.5,-23.2,;34.99,-21.74,;33.76,-20.82,;32.51,-21.71,;31.24,-28.33,;32.56,-29.1,;33.9,-28.35,;32.55,-30.64,;31.2,-31.4,;29.88,-30.62,;29.89,-29.08,;28.57,-28.29,;28.59,-26.76,;27.23,-29.04,;27.24,-27.52,;37.75,-24.84,;39.22,-25.32,)| Show InChI InChI=1S/C22H14ClF3N2O4/c23-16-4-1-3-15(22(24,25)26)18(16)19-14(20(32-28-19)17-5-2-10-31-17)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
					More data for this Ligand-Target Pair