BDBM16801 (2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-dimethoxyphenyl)phenyl]propanoic acid::CHEMBL91485::N-Acyl-4-arylphenylalanine analogue.::SB683698

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)c2c(Cl)cccc2Cl)C(O)=O)cc1

InChI Key InChIKey=DRSJLVGDSNWQBI-SFHVURJKSA-N

Data  5 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 5 hits for monomerid = 16801   

TargetIntegrin alpha-4/beta-1 [T112H](Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM16801((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Affinity DataIC50:  200nMpH: 7.4 T: 2°CAssay Description: Immulon 96-well plates were coated with recombinant hVCAM-1 overnight at 4 C. Plates were washed and blocked for 1 h at room temperature in PBS-BSA....More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM16801((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Affinity DataIC50:  58nMT: 2°CAssay Description:M2 anti-FLAG antibody coated 96-well plates were coated with recombinant FLAG-hMAdCAM-1 contained in Dulbecco PBS. The compounds to be tested were ad...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM16801((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Affinity DataIC50:  0.130nMAssay Description:Antagonistic activity against VLA-4 integrin of human jurkat cells using [125I]VCAM-Ig as radioligandMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Johnson & Johnson Pharmaceutical

LigandPNGBDBM16801((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Affinity DataIC50:  0.75nMAssay Description:Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM16801((2S)-2-[(2,6-dichlorophenyl)formamido]-3-[4-(2,6-d...)
Affinity DataIC50:  61nMAssay Description:Inhibition of Very late antigen-4 (VLA-4) expressing human leukemia cells (HL-60) aggregation with human Vascular cell adhesion molecule-1 (VCAM-1) e...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed