BDBM50113575 (S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2,5-dimethyl-3-oxo-tetrahydro-furan-2-carbonyl)-amino]-propionic acid::CHEMBL290081

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)OC(C)CC2=O)C(O)=O)cc1

InChI Key InChIKey=KSRNGDACGBIPKZ-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:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50113575   

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

Curated by ChEMBL
LigandPNGBDBM50113575((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2,5-...)
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
LigandPNGBDBM50113575((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2,5-...)
Affinity DataIC50: 0.700nMAssay 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
LigandPNGBDBM50113575((S)-3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-[((R)-2,5-...)
Affinity DataIC50: 25nMAssay 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