BDBM19086 (5S)-5-[(1-carbamoylcyclohexyl)carbamoyl]-5-[(2S)-2-({2-[(2-methylphenyl)amino]-1H-1,3-benzodiazol-5-yl}formamido)-6-[(2E)-3-(pyridin-3-yl)prop-2-enamido]hexanamido]pentanoic acid::Benzimidazole Antagonist, 10

SMILES Cc1ccccc1Nc1nc2ccc(cc2[nH]1)C(=O)N[C@@H](CCCCNC(=O)C=Cc1cccnc1)C(=O)N[C@@H](CCCC(O)=O)C(=O)NC1(CCCCC1)C(N)=O

InChI Key InChIKey=REHPSHAQKNOQQY-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 = 19086   

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

LigandPNGBDBM19086((5S)-5-[(1-carbamoylcyclohexyl)carbamoyl]-5-[(2S)-...)
Affinity DataIC50: 379nMpH: 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