BDBM50116487 CHEMBL325167::[22-Amino-19-(4-amino-butyl)-4-carbamoyl-10-(1-hydroxy-ethyl)-16-hydroxymethyl-7-isobutyl-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricos-13-yl]-acetic acid

SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](NC1=O)C(N)=O)[C@@H](C)O

InChI Key InChIKey=FWWQTACZOHEWIV-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 = 50116487   

TargetIntegrin alpha-4/beta-7(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116487([22-Amino-19-(4-amino-butyl)-4-carbamoyl-10-(1-hyd...)
Affinity DataIC50: 250nMAssay Description:Ability to block the alpha4-beta7 integrin-MAdCAM-1 binding interaction using a protein ELISA formatMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetIntegrin alpha-4/beta-1(Human)
Genentech

Curated by ChEMBL
LigandPNGBDBM50116487([22-Amino-19-(4-amino-butyl)-4-carbamoyl-10-(1-hyd...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibitory concentration affording 50% inhibition of alpha4-beta1 integrin binding to VCAM-1, using ELISA assay.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed