BDBM50105392 (S)-3-[4-(3-Cyano-pyridin-2-yl)-phenyl]-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-propionic acid::CHEMBL330525

SMILES C[C@]1(CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ncccc1C#N)C(O)=O

InChI Key InChIKey=BFLDDNSQCPEXPM-HOFKKMOUSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50105392   

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

Curated by ChEMBL
LigandPNGBDBM50105392((S)-3-[4-(3-Cyano-pyridin-2-yl)-phenyl]-2-{[(S)-1-...)
Affinity DataIC50:  0.140nMAssay Description:Antagonistic activity against VLA-4 integrin of human jurkat cells using [125I]VCAM-Ig as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed