BDBM50448508 CHEMBL3126860

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

InChI Key: InChIKey=BDIRYRDVYCQVOY-AVKWDMCDSA-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 = 50448508   

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))	BDBM50448508 (CHEMBL3126860) Show SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C[C@H](C)N(C)[C@H](C)C1)C(=O)NS(=O)(=O)N(C)C |r| Show InChI InChI=1S/C36H47N5O5S/c1-22-19-40(20-23(2)39(22)5)35(43)36-18-30(36)29-17-26(46-6)13-15-27(29)33-32(24-10-8-7-9-11-24)28-14-12-25(16-31(28)41(33)21-36)34(42)37-47(44,45)38(3)4/h12-17,22-24,30H,7-11,18-21H2,1-6H3,(H,37,42)/t22-,23+,30?,36?	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