BDBM50070619 (S)-N-((1S,2R)-1-Carbamoyl-2-hydroxy-propyl)-3-{(S)-2-[(isoquinoline-3-carbonyl)-amino]-4-methyl-pentanoylamino}-succinamic acid::CHEMBL409117::N-(1-Carbamoyl-2-hydroxy-propyl)-3-{2-[(isoquinoline-3-carbonyl)-amino]-4-methyl-pentanoylamino}-succinamic acid

SMILES CC(C)C[C@H](NC(=O)c1cc2ccccc2cn1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key InChIKey=GOLYEGCKLDWVDE-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 = 50070619   

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

Curated by ChEMBL
LigandPNGBDBM50070619(N-(1-Carbamoyl-2-hydroxy-propyl)-3-{2-[(isoquinoli...)
Affinity DataIC50: 4.65E+5nMAssay Description:Inhibition of alpha-4-beta-7/MAdCAM interactionsMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetIntegrin beta-7(Human)
Technische UniversitäT MüNchen

Curated by ChEMBL
LigandPNGBDBM50070619(N-(1-Carbamoyl-2-hydroxy-propyl)-3-{2-[(isoquinoli...)
Affinity DataIC50: 2.80E+5nMAssay Description:Inhibition of alpha4-beta7 interaction to mucosal addressin cell adhesion molecule-1 (MAdCAM-1) was determinedMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed