BDBM50000567 CHEMBL287980::Sodium; ({2-[2-({2-[(azepane-1-carbonyl)-amino]-4-methyl-pentanoyl}-methyl-amino)-3-(1H-indol-3-yl)-propionylamino]-3-pyridin-2-yl-propionyl}-methyl-amino)-acetate

SMILES CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1ccccn1)C(=O)N(C)CC([O-])=O

InChI Key InChIKey=CECBPUNEWWTHGI-UHFFFAOYSA-M

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 = 50000567   

TargetEndothelin-1 receptor(Pig)
Warner-Lambert

Curated by ChEMBL
LigandPNGBDBM50000567(CHEMBL287980 | Sodium; ({2-[2-({2-[(azepane-1-carb...)
Affinity DataIC50: 7.60E+3nMAssay Description:Compound was evaluated for the binding affinity towards Endothelin A receptor in porcine aortic membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/24/2012
Entry Details Article
PubMed