BDBM50124254 3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-({3-[(S)-2-(3-dimethylamino-propylamino)-ethanesulfonyl]-piperidine-3-carbonyl}-amino)-propionic acid::CHEMBL172396

SMILES COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)C2(CCCNC2)S(=O)(=O)CCNCCCN(C)C)C(O)=O)cc1

InChI Key InChIKey=CJASQSIGTKSMFJ-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 = 50124254   

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

Curated by ChEMBL
LigandPNGBDBM50124254(3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-({3-[(S)-2-(3-...)
Affinity DataIC50: 0.370nMAssay Description:Binding affinity towards VLA-4 (alpha4 beta-1) receptor in human Jurkat cells using [125I]VCAM-Ig as radioligandMore 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
LigandPNGBDBM50124254(3-(2',6'-Dimethoxy-biphenyl-4-yl)-2-({3-[(S)-2-(3-...)
Affinity DataIC50: 179nMAssay Description:Binding affinity towards VLA-4 (alpha4 beta7) receptor in human RPMI-8866 B-cell line using [125I]MAdCAM-Ig as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed