BDBM50448515 CHEMBL3126853

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

InChI Key: InChIKey=YILVFCHRQFKSES-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 = 50448515   

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))	BDBM50448515 (CHEMBL3126853) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CC(C)(O)C1)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C33H40N4O6S/c1-32(40)17-36(18-32)31(39)33-16-26(33)25-15-22(43-4)11-13-23(25)29-28(20-8-6-5-7-9-20)24-12-10-21(14-27(24)37(29)19-33)30(38)34-44(41,42)35(2)3/h10-15,20,26,40H,5-9,16-19H2,1-4H3,(H,34,38)	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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