BDBM50172642 CHEMBL373284::Hexanoic acid ((3S,4R,5R)-3-butyl-3-ethyl-4-hydroxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-7-yl)-amide

SMILES CCCCCC(=O)Nc1ccc2c(c1)[C@H]([C@@H](O)[C@](CC)(CCCC)CS2(=O)=O)c1ccccc1

InChI Key InChIKey=UBMQTXNFMHUNTD-UHFFFAOYSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172642   

TargetIleal sodium/bile acid cotransporter(Human)
Pharmacia

Curated by ChEMBL
LigandPNGBDBM50172642(Hexanoic acid ((3S,4R,5R)-3-butyl-3-ethyl-4-hydrox...)
Affinity DataIC50: 300nMAssay Description:In vitro inhibition of ASBT mediated uptake of [14C]taurocholate (5 uM) in Baby hamster cells expressing human IBATMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/4/2012
Entry Details Article
PubMed