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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50034439'   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Endothelin-1 receptor


(RAT)		BDBM50034439
PNG
(5-(2-Oxo-pyrrolidin-1-yl)-naphthalene-1-sulfonic a...)
Show SMILES Cc1noc(NS(=O)(=O)c2cccc3c(cccc23)N2CCCC2=O)c1C
Show InChI InChI=1S/C19H19N3O4S/c1-12-13(2)20-26-19(12)21-27(24,25)17-9-4-6-14-15(17)7-3-8-16(14)22-11-5-10-18(22)23/h3-4,6-9,21H,5,10-11H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Antagonism of [125 I]ET-1 binding to the rat endothelin receptor in vascular smooth muscle VSM-A10 cells.

J Med Chem 38: 1344-54 (1995)


BindingDB Entry DOI: 10.7270/Q20864BS
More data for this
Ligand-Target Pair