Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50448514'   

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
Nuclear receptor subfamily 1 group I member 2 (Homo sapiens (Human))	BDBM50448514 (CHEMBL3126854) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C(F)(F)F)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C33H37F3N4O6S/c1-38(2)47(44,45)37-29(41)20-9-11-23-26(13-20)40-16-31(30(42)39-17-32(43,18-39)33(34,35)36)15-25(31)24-14-21(46-3)10-12-22(24)28(40)27(23)19-7-5-4-6-8-19/h9-14,19,25,43H,4-8,15-18H2,1-3H3,(H,37,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Research and Development Curated by ChEMBL					Assay Description Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assay				J Med Chem 57: 1855-79 (2014) Article DOI: 10.1021/jm4016894 BindingDB Entry DOI: 10.7270/Q2V989JD
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