BDBM50322482 (2S)-5-(3-(tert-butoxycarbonylamino)phenylamino)-2-((4R)-4-((3R,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamido)-5-oxopentanoate::CHEMBL3138512

SMILES CC(CCC(=O)NC(CCC(=O)Nc1cccc(NC(=O)OC(C)(C)C)c1)C(O)=O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C

InChI Key InChIKey=VBXNSOKXYNYHDV-UHFFFAOYSA-N

Data  1 KI

  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 = 50322482   

TargetIleal sodium/bile acid cotransporter(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50322482((2S)-5-(3-(tert-butoxycarbonylamino)phenylamino)-2...)
Affinity DataKi:  6.53E+3nMAssay Description:Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/21/2010
Entry Details Article
PubMed