BDBM50108334 CHEMBL42703::Pyrrolidine-1-carboxylic acid 3-((S)-2-carboxy-2-{[(S)-1-(3,5-dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-ethyl)-phenyl ester

SMILES C[C@]1(CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](Cc1cccc(OC(=O)N2CCCC2)c1)C(O)=O

InChI Key InChIKey=LKUHHZPYAGRQJR-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50108334   

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

Curated by ChEMBL
LigandPNGBDBM50108334(Pyrrolidine-1-carboxylic acid 3-((S)-2-carboxy-2-{...)
Affinity DataIC50: 3.70nMAssay Description:Alpha4-beta1 integrin binding affinity was assessed by measuring the reduction in binding of [125I]VCAM-Ig to a suspension of Jurkat cells (a human T...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed