BDBM50105400 (S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carbonyl]-amino}-hexanoic acid::CHEMBL89960

SMILES CCCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(OC)c(OC)c1)C(O)=O

InChI Key InChIKey=UIQZHYNNPYXEGY-PMACEKPBSA-N

Data  4 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 4 hits for monomerid = 50105400   

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

Curated by ChEMBL
LigandPNGBDBM50105400((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...)
Affinity DataIC50:  0.530nMAssay 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
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105400((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...)
Affinity DataIC50:  58nMAssay Description:Inhibition of [125I]VCAM-Ig binding to VLA-4 integrin of human Jurkat cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105400((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...)
Affinity DataIC50:  58nMAssay Description:Inhibitory activity against alpha-4 beta-1 receptor (VLA-4) in human RPMI-8866 cells using [125I]-VCAM-Ig ligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105400((S)-2-{[(S)-2-(3,4-Dimethoxy-benzenesulfonyl)-1,2,...)
Affinity DataIC50:  0.530nMAssay Description:Antagonist activity at alpha4beta1 integrinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed