BDBM50448507 CHEMBL3126861

SMILES: COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N([C@H](C)C1)C(C)=O)C(=O)NS(=O)(=O)N(C)C

InChI Key: InChIKey=HTOYEVBOEUHJBV-GZERJIQXSA-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 = 50448507   

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))	BDBM50448507 (CHEMBL3126861) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N([C@H](C)C1)C(C)=O)C(=O)NS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C37H47N5O6S/c1-22-19-40(20-23(2)42(22)24(3)43)36(45)37-18-31(37)30-17-27(48-6)13-15-28(30)34-33(25-10-8-7-9-11-25)29-14-12-26(16-32(29)41(34)21-37)35(44)38-49(46,47)39(4)5/h12-17,22-23,25,31H,7-11,18-21H2,1-6H3,(H,38,44)/t22-,23+,31?,37?	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