BDBM50116480 CHEMBL420130::[22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-10-(1-hydroxy-ethyl)-7-isobutyl-16-(2-methylsulfanyl-ethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexaaza-cyclotricos-13-yl]-acetic acid

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

InChI Key InChIKey=HMBDTBIPSPIRMK-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 = 50116480   

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

Curated by ChEMBL
LigandPNGBDBM50116480([22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-10-(...)
Affinity DataIC50: 2.20E+3nMAssay 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
LigandPNGBDBM50116480([22-Amino-4-carbamoyl-19-(3-guanidino-propyl)-10-(...)
Affinity DataIC50: 3.20E+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