Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Peroxisome proliferator-activated receptor gamma' and Ligand = 'BDBM50519893'   

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))	BDBM50519893 (CHEMBL4437814) Show SMILES OC(=O)c1ccc(cc1)S(=O)(=O)Nc1c(noc1-c1ccccc1)-c1c(Cl)cccc1C(F)(F)F |(19.75,-25.52,;18.61,-26.56,;18.95,-28.06,;17.15,-26.1,;16.01,-27.14,;14.54,-26.67,;14.22,-25.17,;15.35,-24.13,;16.81,-24.59,;12.75,-24.69,;11.73,-23.52,;13.26,-23.23,;11.62,-25.74,;10.15,-25.27,;8.91,-26.18,;7.65,-25.29,;8.11,-23.81,;9.66,-23.8,;10.56,-22.56,;12.09,-22.71,;12.98,-21.47,;12.35,-20.06,;10.81,-19.91,;9.92,-21.16,;8.93,-27.77,;10.3,-28.53,;11.66,-27.72,;10.33,-30.1,;8.97,-30.92,;7.59,-30.14,;7.57,-28.57,;6.23,-27.81,;6.22,-26.27,;4.91,-28.59,;4.89,-27.04,)| Show InChI InChI=1S/C23H14ClF3N2O5S/c24-17-8-4-7-16(23(25,26)27)18(17)19-20(21(34-28-19)13-5-2-1-3-6-13)29-35(32,33)15-11-9-14(10-12-15)22(30)31/h1-12,29H,(H,30,31)	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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