BDBM50172633 (3S,4R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol::CHEMBL372620

SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2ccc(OC)cc2[C@H]([C@H]1O)c1ccccc1

InChI Key: InChIKey=LIUWXFDZLUUPNO-DNVJHFABSA-N

Data: 1 IC50

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 = 50172633   

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
Ileal bile acid transporter/bile acid cotransporter (Homo sapiens (Human))	BDBM50172633 ((3S,4R,5R)-3-Butyl-3-ethyl-7-methoxy-1,1-dioxo-5-p...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccc(OC)cc2[C@H]([C@H]1O)c1ccccc1 Show InChI InChI=1S/C23H30O4S/c1-4-6-14-23(5-2)16-28(25,26)20-13-12-18(27-3)15-19(20)21(22(23)24)17-10-8-7-9-11-17/h7-13,15,21-22,24H,4-6,14,16H2,1-3H3/t21-,22-,23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia Curated by ChEMBL					Assay Description In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBAT				J Med Chem 48: 5837-52 (2005) Article DOI: 10.1021/jm040215+ BindingDB Entry DOI: 10.7270/Q26M37MS
					More data for this Ligand-Target Pair