BDBM50113554 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(3-nitro-phenyl)-tetrahydro-furan-2-carbonyl]-amino}-propionic acid::CHEMBL38091

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)c2cccc(c2)[N+]([O-])=O)C(O)=O)cc1

InChI Key InChIKey=IRVJBUBWERQASS-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 = 50113554   

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

Curated by ChEMBL
LigandPNGBDBM50113554((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(3...)
Affinity DataIC50: 0.230nMAssay 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-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113554((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(3...)
Affinity DataIC50: 0.950nMAssay 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-7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113554((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(S)-2-(3...)
Affinity DataIC50: 20nMAssay 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