BDBM50113564 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-3-(4-methoxy-benzylamino)-2,5-dimethyl-tetrahydro-furan-2-carbonyl]-amino}-propionic acid::CHEMBL435366

SMILES COc1ccc(CNC2CC(C)O[C@@]2(C)C(=O)N[C@@H](Cc2ccc(cc2)-c2c(OC)cccc2OC)C(O)=O)cc1

InChI Key InChIKey=YTCSFWUXKXTEKH-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50113564   

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

Curated by ChEMBL
LigandPNGBDBM50113564((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-3-(4...)
Affinity DataIC50: 15nMAssay Description:Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113564((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-3-(4...)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113564((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-3-(4...)
Affinity DataIC50: 733nMAssay Description:Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulinMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed