BDBM50116490 3-(2-Amino-4-methylsulfanyl-butyrylamino)-N-[4-carbamoyl-13-carboxymethyl-19-(3-guanidino-propyl)-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-22-yl]-succinamic acid::CHEMBL435970

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

InChI Key InChIKey=ZTQUXCXAZRNPHB-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 = 50116490   

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

Curated by ChEMBL
LigandPNGBDBM50116490(3-(2-Amino-4-methylsulfanyl-butyrylamino)-N-[4-car...)
Affinity DataIC50: 640nMAssay 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
LigandPNGBDBM50116490(3-(2-Amino-4-methylsulfanyl-butyrylamino)-N-[4-car...)
Affinity DataIC50: 1.18E+4nMAssay 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