BDBM50113550 (S)-2-[((R)-2-Butyl-tetrahydro-furan-2-carbonyl)-amino]-3-(2',6'-dimethoxy-biphenyl-4-yl)-propionic acid::CHEMBL418414

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

InChI Key InChIKey=GYNQANKDGGTNRK-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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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 = 50113550   

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

Curated by ChEMBL
LigandPNGBDBM50113550((S)-2-[((R)-2-Butyl-tetrahydro-furan-2-carbonyl)-a...)
Affinity DataIC50: 0.480nMAssay 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
LigandPNGBDBM50113550((S)-2-[((R)-2-Butyl-tetrahydro-furan-2-carbonyl)-a...)
Affinity DataIC50: 14nMAssay 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
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50113550((S)-2-[((R)-2-Butyl-tetrahydro-furan-2-carbonyl)-a...)
Affinity DataIC50: 1.5nMAssay 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