BDBM19081 (5S)-5-[(2S)-2-{1-[4-(1H-1,3-benzodiazol-2-ylamino)phenyl]acetamido}-6-[(2E)-3-(pyridin-3-yl)prop-2-enamido]hexanamido]-5-[(1-carbamoylcyclohexyl)carbamoyl]pentanoic acid::Benzimidazole Antagonist, 5::CHEMBL447354

SMILES NC(=O)C1(CCCCC1)NC(=O)[C@H](CCCC(O)=O)NC(=O)[C@H](CCCCNC(=O)\C=C\c1cccnc1)NC(=O)Cc1ccc(Nc2nc3ccccc3[nH]2)cc1

InChI Key InChIKey=CJSJCPSXRGQDKE-KYAQHZTFSA-N

Data  2 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 2 hits for monomerid = 19081   

TargetIntegrin alpha-4(Homo sapiens (Human))
University Of California Davis

Curated by ChEMBL
LigandPNGBDBM19081((5S)-5-[(2S)-2-{1-[4-(1H-1,3-benzodiazol-2-ylamino...)
Affinity DataIC50:  0.305nMAssay Description:Inhibition of human integrin alpha-4-beta-1-mediated MOLT4 cell adhesion to biotin-conjugated CS-1 peptideMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
University of California Davis

LigandPNGBDBM19081((5S)-5-[(2S)-2-{1-[4-(1H-1,3-benzodiazol-2-ylamino...)
Affinity DataIC50:  0.305nMpH: 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 DepthDetails ArticlePubMed