Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519880'   

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))	BDBM50519880 (CHEMBL4518713) Show SMILES Cc1onc(c1C(=O)Nc1ccc(cc1)C(O)=O)-c1c(Cl)cccc1C(F)(F)F |(46.52,-5.01,;45.65,-6.29,;44.1,-6.33,;43.68,-7.8,;44.95,-8.67,;46.17,-7.74,;47.7,-7.74,;48.47,-9.07,;48.47,-6.4,;50.01,-6.4,;50.78,-7.74,;52.32,-7.74,;53.09,-6.4,;52.31,-5.06,;50.77,-5.07,;54.63,-6.39,;55.4,-7.73,;55.39,-5.06,;44.97,-10.22,;46.32,-10.94,;47.63,-10.13,;46.37,-12.48,;45.04,-13.29,;43.69,-12.55,;43.65,-11.01,;42.31,-10.27,;42.28,-8.73,;40.99,-11.07,;40.96,-9.5,)| Show InChI InChI=1S/C19H12ClF3N2O4/c1-9-14(17(26)24-11-7-5-10(6-8-11)18(27)28)16(25-29-9)15-12(19(21,22)23)3-2-4-13(15)20/h2-8H,1H3,(H,24,26)(H,27,28)	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
					More data for this Ligand-Target Pair