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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 = 'BDBM50124456'   
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))		BDBM50124456
PNG
(CHEMBL176741 | Pyridin-3-yl-carbamic acid 4-[5-(2-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(nc1OCC#CCOC(=O)Nc1cccnc1)N1CCOCC1
Show InChI InChI=1S/C31H31N7O8S/c1-22-11-12-26(33-20-22)47(40,41)37-28-27(46-25-10-4-3-9-24(25)42-2)29(36-30(35-28)38-14-18-43-19-15-38)44-16-5-6-17-45-31(39)34-23-8-7-13-32-21-23/h3-4,7-13,20-21H,14-19H2,1-2H3,(H,34,39)(H,35,36,37)
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n/an/a 21n/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