BDBM50117036 (S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1-(4-methanesulfonyl-butyl)-cyclopentanecarbonyl]-amino}-propionic acid::CHEMBL79733

SMILES CS(=O)(=O)CCCCC1(CCCC1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2c(Cl)cccc2Cl)cc1)C(O)=O

InChI Key InChIKey=GRKQLMXUWWDASB-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50117036   

TargetIntegrin alpha-4/beta-1(Human)
Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50117036((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1...)
Affinity DataIC50: 8nMAssay Description:Inhibition of Very late antigen 4 (VLA-4) of Ramos cell adhesion to vascular cell adhesion molecule 1 (VCAM-1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50117036((S)-3-[4-(2,6-Dichloro-benzoylamino)-phenyl]-2-{[1...)
Affinity DataIC50: 0.150nMAssay Description:Inhibition of Very late antigen 4/vascular cell adhesion molecule 1 interaction in ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed