Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519888'   

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))	BDBM50519888 (CHEMBL4444484) Show SMILES OC(=O)c1ccc(NC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(74.24,-7.9,;73.47,-6.57,;74.24,-5.23,;71.93,-6.57,;71.16,-7.9,;69.62,-7.9,;68.85,-6.57,;67.31,-6.57,;66.54,-7.9,;67.31,-9.24,;65.01,-7.9,;63.79,-8.85,;62.52,-7.98,;62.94,-6.49,;64.49,-6.45,;65.35,-5.17,;66.88,-5.29,;67.75,-4.02,;67.08,-2.63,;65.53,-2.52,;64.67,-3.79,;63.83,-10.38,;65.18,-11.1,;66.48,-10.28,;65.23,-12.63,;63.91,-13.45,;62.56,-12.72,;62.51,-11.18,;61.16,-10.45,;61.12,-8.91,;59.84,-11.25,;59.82,-9.68,;69.61,-5.24,;71.15,-5.23,)| Show InChI InChI=1S/C24H14ClF3N2O4/c25-17-8-4-7-16(24(26,27)28)18(17)20-19(21(34-30-20)13-5-2-1-3-6-13)22(31)29-15-11-9-14(10-12-15)23(32)33/h1-12H,(H,29,31)(H,32,33)	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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