BDBM50110102 CHEMBL161826::x(S)-1-{(S)-2-[(S)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid(S)-3-Biphenyl-4-yl-2-{4-[(3,5-dichloro-benzenesulfonylamino)-methyl]-benzoylamino}-propionic acid

SMILES OC(=O)[C@H](Cc1ccc(cc1)-c1ccccc1)NC(=O)c1ccc(CNS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1

InChI Key InChIKey=PRAQNLQOJOFZRC-MHZLTWQESA-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 = 50110102   

TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110102(CHEMBL161826 | x(S)-1-{(S)-2-[(S)-3-Carboxy-2-((S)...)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of [125I]VCAM-Ig binding to Alpha-4 beta-1 (VLA-4) of Jurkat cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed