BDBM50089027 (5R,8S,13S,15aR)-8-[(S)-2-Acetylamino-3-(4-hydroxy-phenyl)-propionylamino]-5-carboxymethyl-4,7,15-trioxo-tetradecahydro-10,11-dithia-3a,6,14-triaza-cyclopentacyclotetradecene-13-carboxylic acid::CHEMBL16475

SMILES CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC1=O)C(O)=O

InChI Key InChIKey=IXDDZIVBYAEUTN-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 = 50089027   

TargetIntegrin alpha-4(Human)
Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50089027((5R,8S,13S,15aR)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of VLA-4 binding to recombinant human VCAM using Solid phase assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetIntegrin alpha-4(Human)
Roche Research Center

Curated by ChEMBL
LigandPNGBDBM50089027((5R,8S,13S,15aR)-8-[(S)-2-Acetylamino-3-(4-hydroxy...)
Affinity DataIC50: 200nMAssay Description:Inhibition of VLA-4 binding to recombinant human VCAM using Ramos cell assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed