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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 = 'BDBM50124481'   
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


(Homo sapiens (Human))		BDBM50124481
PNG
(5-Methyl-pyridine-2-sulfonic acid [2-(2-hydroxymet...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#C)-c1ccnc(CO)c1
Show InChI InChI=1S/C26H23N5O6S/c1-4-13-36-26-23(37-21-8-6-5-7-20(21)35-3)25(31-38(33,34)22-10-9-17(2)15-28-22)29-24(30-26)18-11-12-27-19(14-18)16-32/h1,5-12,14-15,32H,13,16H2,2-3H3,(H,29,30,31)
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PC sid
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PubMed
n/an/a 11n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against [125I]-ET-1 binding to membranes of CHO cells expressing human ETA receptor

Bioorg Med Chem Lett 13: 955-9 (2003)


BindingDB Entry DOI: 10.7270/Q28C9VK8
More data for this
Ligand-Target Pair