BDBM50143777 CHEMBL61425::TAK-044::{(2S,5S,8S,11R,14R,17S)-14-Carboxymethyl-11-(1H-indol-3-ylmethyl)-8-isobutyl-3,6,9,12,15,18-hexaoxo-17-[2-oxo-2-(4-phenyl-piperazin-1-yl)-ethyl]-5-thiophen-2-yl-1,4,7,10,13,16hexaaza-cyclooctadec-2-yl}-acetic acid

SMILES CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@H](CC([O-])=O)NC(=O)[C@H](CC(=O)N2CCN(CC2)c2ccccc2)NC(=O)[C@@H](CC([O-])=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)c1cccs1

InChI Key InChIKey=HAHANBGRLRTDGL-UHFFFAOYSA-L

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 = 50143777   

TargetEndothelin-1 receptor(Rat)
Encysive Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50143777({(2S,5S,8S,11R,14R,17S)-14-Carboxymethyl-11-(1H-in...)
Affinity DataIC50: 0.240nMAssay Description:Displacement of [125I]ET-1 from Endothelin A receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed