BDBM50104529 (S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[4-(3-o-tolyl-ureido)-phenyl]-acetylamino}-pentanoylamino)-propionylamino]-3-methyl-butyryl}-pyrrolidine-2-carboxylic acid::CHEMBL313828

SMILES CC(C)C[C@H](NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@@H]1C(O)=O

InChI Key InChIKey=NVVGCQABIHSJSQ-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 = 50104529   

TargetIntegrin alpha-4/beta-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50104529((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of human recombinant sVCAM-1 binding to alpha4-beta1 integrin (VLA-4) in ELISAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50104529((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of Alpha4-beta1 integrin in Jurkat cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Pfizer

Curated by ChEMBL
LigandPNGBDBM50104529((S)-1-{2-[(S)-(R)-3-Carboxy-2-((S)-4-methyl-2-{2-[...)
Affinity DataIC50: 97nMAssay Description:Inhibition of VCAM binding to Alpha4-beta1 integrin of human eosinophil cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed