BDBM50113583 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-2-(4-methoxy-butyl)-tetrahydro-furan-2-carbonyl]-amino}-propionic acid::CHEMBL37458

SMILES COCCCC[C@@]1(CCCO1)C(=O)N[C@@H](Cc1ccc(cc1)-c1c(OC)cccc1OC)C(O)=O

InChI Key InChIKey=FPKILHQBPJHCHS-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113583   

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

Curated by ChEMBL
LigandPNGBDBM50113583((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-2-(4...)
Affinity DataIC50: 1.30nMAssay 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
LigandPNGBDBM50113583((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-2-(4...)
Affinity DataIC50: 0.620nMAssay 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
LigandPNGBDBM50113583((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-{[(R)-2-(4...)
Affinity DataIC50: 22nMAssay 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