BDBM50105387 (S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-methyl-pyrrolidine-2-carbonyl]-amino}-3-(4-pyridin-2-yl-phenyl)-propionic acid::CHEMBL90198

SMILES C[C@]1(CCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccn1)C(O)=O

InChI Key InChIKey=LUQNTQZWQQXMQY-OZXSUGGESA-N

Data  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50105387   

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

Curated by ChEMBL
LigandPNGBDBM50105387((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  0.150nMAssay Description:Inhibition of [125I]VCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIntegrin alpha-4/beta-7(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50105387((S)-2-{[(S)-1-(3,5-Dichloro-benzenesulfonyl)-2-met...)
Affinity DataIC50:  97nMAssay Description:Inhibition of [125I]MAdCAM-Ig binding to alpha4-beta7 integrin of human RPMI-8866 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed