BDBM50113574 (S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tetrahydro-furan-2-carbonyl]-amino}-3-(2'-methoxy-biphenyl-4-yl)-propionic acid::CHEMBL287030

SMILES COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@]2(CCCO2)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(O)=O)cc1

InChI Key InChIKey=HPOGEWKAYYHIGE-UHFFFAOYSA-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 = 50113574   

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

Curated by ChEMBL
LigandPNGBDBM50113574((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...)
Affinity DataIC50: 1.11E+3nMAssay 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
LigandPNGBDBM50113574((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...)
Affinity DataIC50: 4.60nMAssay 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
LigandPNGBDBM50113574((S)-2-{[(S)-2-(3,5-Bis-trifluoromethyl-phenyl)-tet...)
Affinity DataIC50: 499nMAssay 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