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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 = 'BDBM50124457'   
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))		BDBM50124457
PNG
(5-Isopropyl-pyridine-2-sulfonic acid [6-(4-hydroxy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCO)-c1ncccn1
Show InChI InChI=1S/C27H26N6O6S/c1-18(2)19-11-12-22(30-17-19)40(35,36)33-24-23(39-21-10-5-4-9-20(21)37-3)27(38-16-7-6-15-34)32-26(31-24)25-28-13-8-14-29-25/h4-5,8-14,17-18,34H,15-16H2,1-3H3,(H,31,32,33)
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PC sid
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PubMed
n/an/a 53n/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