BDBM50448509 CHEMBL3126859

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

InChI Key: InChIKey=WNCJWMBZJAIJFT-IKUAJPQESA-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 = 50448509   

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))	BDBM50448509 (CHEMBL3126859) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N[C@H](C)C1)C(=O)NS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C35H45N5O5S/c1-21-18-39(19-22(2)36-21)34(42)35-17-29(35)28-16-25(45-5)12-14-26(28)32-31(23-9-7-6-8-10-23)27-13-11-24(15-30(27)40(32)20-35)33(41)37-46(43,44)38(3)4/h11-16,21-23,29,36H,6-10,17-20H2,1-5H3,(H,37,41)/t21-,22+,29?,35?	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