BDBM50448512 CHEMBL3126856

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C1CC1)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=KBOWNPDZDFUNKA-UHFFFAOYSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50448512   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pregnane X receptor (Homo sapiens (Human))	BDBM50448512 (CHEMBL3126856) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(O)(C1)C1CC1)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C35H42N4O6S/c1-37(2)46(43,44)36-32(40)22-9-13-26-29(15-22)39-18-34(33(41)38-19-35(42,20-38)23-10-11-23)17-28(34)27-16-24(45-3)12-14-25(27)31(39)30(26)21-7-5-4-6-8-21/h9,12-16,21,23,28,42H,4-8,10-11,17-20H2,1-3H3,(H,36,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>5.00E+4	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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