BDBM50108343 CHEMBL43858::Pyrrolidine-1-carboxylic acid 4-{(S)-2-carboxy-2-[((S)-1-methanesulfonyl-pyrrolidine-2-carbonyl)-amino]-ethyl}-phenyl ester

SMILES CS(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(O)=O

InChI Key InChIKey=JUBGULNNHUDWAO-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50108343   

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

Curated by ChEMBL
LigandPNGBDBM50108343(Pyrrolidine-1-carboxylic acid 4-{(S)-2-carboxy-2-[...)
Affinity DataIC50: 0.5nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-7(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108343(Pyrrolidine-1-carboxylic acid 4-{(S)-2-carboxy-2-[...)
Affinity DataIC50: 4.40nMAssay Description:Alpha4-beta7 integrin binding affinity was determined in duplicate by a radioligand binding assay using [125I]-VCAM-Ig and a suspension of RPMI-8866 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed