BDBM50113571 (S)-2-{[(S)-2-(4-Chloro-3-nitro-phenyl)-tetrahydro-furan-2-carbonyl]-amino}-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL37707

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)c2ccc(Cl)c(c2)[N+]([O-])=O)C(O)=O)cc1

InChI Key InChIKey=NFMHJWOVOIOOTE-KMRXNPHXSA-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 = 50113571   

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

Curated by ChEMBL
LigandPNGBDBM50113571((S)-2-{[(S)-2-(4-Chloro-3-nitro-phenyl)-tetrahydro...)
Affinity DataIC50:  0.470nMAssay Description:Inhibition of alpha4-beta1 (very late) antigen binding with VCAM-1 immunoglobulinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113571((S)-2-{[(S)-2-(4-Chloro-3-nitro-phenyl)-tetrahydro...)
Affinity DataIC50:  46nMAssay 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
LigandPNGBDBM50113571((S)-2-{[(S)-2-(4-Chloro-3-nitro-phenyl)-tetrahydro...)
Affinity DataIC50:  2.40nMAssay 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