BDBM50108322 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-3-(4-diisopropylcarbamoyloxy-phenyl)-propionic acid::CHEMBL42657

SMILES CC(C)N(C(C)C)C(=O)Oc1ccc(C[C@H](NC(=O)[C@]2(C)CCCN2S(=O)(=O)c2cc(Cl)cc(Cl)c2)C(O)=O)cc1

InChI Key InChIKey=XMJDMDBLEIGQSK-CUBQBAPOSA-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 = 50108322   

TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108322((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  62nMAssay 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 DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50108322((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  0.220nMAssay 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 ArticlePubMed