BDBM50102549 CHEMBL406532::[5-Carboxymethyl-8-(1-hydroxy-ethyl)-14-isobutyl-17-(2-methylsulfanyl-ethyl)-4,7,10,13,16,19-hexaoxo-octadecahydro-3a,6,9,12,15,18-hexaaza-cyclopentacyclooctadecen-11-yl]-acetic acid

SMILES CSCC[C@H]1NC(=O)[C@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC1=O)[C@@H](C)O

InChI Key InChIKey=NRUWLBCUSFNRBW-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 50102549   

TargetIntegrin alpha-4/beta-7(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50102549([5-Carboxymethyl-8-(1-hydroxy-ethyl)-14-isobutyl-1...)
Affinity DataIC50: 3.17E+5nMAssay Description:Inhibition of alpha-4-beta-7/MAdCAM interactionsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed