BDBM50170974 (S)-4-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrrolidine-2-carbonyl]-amino}-5-{4-[(3,5-dichloro-pyridine-4-carbonyl)-amino]-phenyl}-3-oxo-pentanoic acid ethyl ester::CHEMBL366117

SMILES CCOC(=O)CC(=O)[C@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1

InChI Key InChIKey=XHHTVFAHRGAGHQ-UHFFFAOYSA-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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50170974   

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

Curated by ChEMBL
LigandPNGBDBM50170974((S)-4-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-pyrro...)
Affinity DataIC50: 13nMAssay Description:Inhibition of VLA-4 receptor of Jurkat cells in BURJ assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2013
Entry Details Article
PubMed