BDBM19085 (5S)-5-[(1-carbamoylcyclohexyl)carbamoyl]-5-[(2S)-2-(1-{4-[(4-methyl-1H-1,3-benzodiazol-2-yl)amino]phenyl}acetamido)-6-[(2E)-3-(pyridin-3-yl)prop-2-enamido]hexanamido]pentanoic acid::Benzimidazole Antagonist, 9

SMILES Cc1cccc2[nH]c(Nc3ccc(CC(=O)N[C@@H](CCCCNC(=O)C=Cc4cccnc4)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC4(CCCCC4)C(N)=O)cc3)nc12

InChI Key InChIKey=CKSROGWQUVNSCH-UHFFFAOYSA-N

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 = 19085   

TargetIntegrin alpha-4/beta-1 [T112H](Human)
University of California Davis

LigandPNGBDBM19085((5S)-5-[(1-carbamoylcyclohexyl)carbamoyl]-5-[(2S)-...)
Affinity DataIC50: 27.5nMpH: 7.5 T: 2°CAssay Description:Binding affinities (IC50) of the ligands were studied in a Molt-4 T-cell adhesion assay by inhibiting the alpha-4/beta-1 mediated cell adhesion to CS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/23/2007
Entry Details Article
PubMed