BDBM50128324 (S)-3-{4-[(4-Chloro-pyridine-3-carbonyl)-amino]-phenyl}-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-propionic acid::CHEMBL293756

SMILES C[C@]1(CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](Cc1ccc(NC(=O)c2cnccc2Cl)cc1)C(O)=O

InChI Key InChIKey=IWJUFTWRMKICLP-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 = 50128324   

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

Curated by ChEMBL
LigandPNGBDBM50128324((S)-3-{4-[(4-Chloro-pyridine-3-carbonyl)-amino]-ph...)
Affinity DataIC50: 0.210nMAssay Description:Inhibition of VLA-4 binding in Jurkat cells in the presence of Mg2+More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128324((S)-3-{4-[(4-Chloro-pyridine-3-carbonyl)-amino]-ph...)
Affinity DataIC50: 0.210nMAssay Description:Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of [Ca2+]More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50128324((S)-3-{4-[(4-Chloro-pyridine-3-carbonyl)-amino]-ph...)
Affinity DataIC50: 0.140nMAssay Description:Inhibition of [125I]VCAM-Ig binding to VLA-4 of Jurkat cells in the presence of Mn2+More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed