BDBM19079 (5S)-5-[(2S)-2-{2-[4-(1H-1,3-benzodiazol-2-ylamino)phenyl]propanamido}-6-[(2E)-3-(pyridin-3-yl)prop-2-enamido]hexanamido]-5-[(1-carbamoylcyclohexyl)carbamoyl]pentanoic acid::Benzimidazole Antagonist, 3

SMILES CC(C(=O)N[C@@H](CCCCNC(=O)\C=C\c1cccnc1)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC1(CCCCC1)C(N)=O)c1ccc(Nc2nc3ccccc3[nH]2)cc1

InChI Key InChIKey=IAVWBWJEOFKPSN-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 = 19079   

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

LigandPNGBDBM19079((5S)-5-[(2S)-2-{2-[4-(1H-1,3-benzodiazol-2-ylamino...)
Affinity DataIC50: 444nMpH: 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