BDBM50448506 CHEMBL3126655

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)C(C)=O)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=BBLJZPXJPLUHQR-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 = 50448506   

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))	BDBM50448506 (CHEMBL3126655) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1CCN(CC1)C(C)=O)C(=O)NS(=O)(=O)N(C)C Show InChI InChI=1S/C35H43N5O6S/c1-22(41)38-14-16-39(17-15-38)34(43)35-20-29(35)28-19-25(46-4)11-13-26(28)32-31(23-8-6-5-7-9-23)27-12-10-24(18-30(27)40(32)21-35)33(42)36-47(44,45)37(2)3/h10-13,18-19,23,29H,5-9,14-17,20-21H2,1-4H3,(H,36,42)	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
					More data for this Ligand-Target Pair