BDBM50113546 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2-methyl-tetrahydro-furan-2-carbonyl)-amino]-propionic acid::CHEMBL34498

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

InChI Key InChIKey=WKEYMRCHVPVMOY-GAJHUEQPSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50113546   

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

Curated by ChEMBL
LigandPNGBDBM50113546((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2-me...)
Affinity DataIC50:  3.60nMAssay Description:Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113546((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2-me...)
Affinity DataIC50:  0.300nMAssay Description:Inhibition of very late antigen-4 alpha4-beta1 (VLA-4), I-VCAM-Ig as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113546((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2-me...)
Affinity DataIC50:  7.10nMAssay Description:Inhibition of alpha4-beta7 antigen with MAdCAM immunoglobulinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113546((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2-me...)
Affinity DataIC50:  0.340nMAssay Description:Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulin plus 5% human plasmaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed