BDBM50172645 (3S,4S,5S)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-4-ol::CHEMBL443310

SMILES: CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H]([C@@H]1O)c1ccccc1

InChI Key: InChIKey=UOLPWQTZNSRMCK-FDFHNCONSA-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 = 50172645   

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))	BDBM50172645 ((3S,4S,5S)-3-Butyl-3-ethyl-1,1-dioxo-5-phenyl-2,3,...) Show SMILES CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H]([C@@H]1O)c1ccccc1 Show InChI InChI=1S/C22H28O3S/c1-3-5-15-22(4-2)16-26(24,25)19-14-10-9-13-18(19)20(21(22)23)17-11-7-6-8-12-17/h6-14,20-21,23H,3-5,15-16H2,1-2H3/t20-,21-,22+/m0/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	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