BDBM50172675 1-[2-(2-{2-[4-((4R,5R)-3,3-Dibutyl-7-dimethylamino-4-hydroxy-1,1-dioxo-2,3,4,5-tetrahydro-1H-1lambda*6*-benzo[b]thiepin-5-yl)-2-fluoro-phenoxy]-ethoxy}-ethoxy)-ethyl]-4,8,11-trimethyl-4,8,11-triaza-1-azonia-cyclotetradecane::ASBT inhibitor 62::CID44403755

SMILES CCCCC1(CCCC)CS(=O)(=O)c2ccc(cc2[C@H]([C@H]1O)c1ccc(OCCOCCOCC[NH+]2CCCN(C)CCN(C)CCCN(C)CC2)c(F)c1)N(C)C

InChI Key InChIKey=ZTLPOTOZKNJKDE-UHFFFAOYSA-O

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50172675   

TargetIleal sodium/bile acid cotransporter(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50172675(ASBT inhibitor 62 | 1-[2-(2-{2-[4-((4R,5R)-3,3-Dib...)
Affinity DataIC50: 3nMAssay 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 DepthDetails Article
PubMed