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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 = 'BDBM50124454'   
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))		BDBM50124454
PNG
(4-tert-Butyl-N-{5-(2-methoxy-phenoxy)-2-[2-(5-oxo-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=O)o[nH]1
Show InChI InChI=1S/C31H28N6O7S/c1-6-17-42-29-25(43-24-10-8-7-9-23(24)41-5)28(37-45(39,40)21-13-11-20(12-14-21)31(2,3)4)33-26(34-29)19-15-16-32-22(18-19)27-35-30(38)44-36-27/h1,7-16,18H,17H2,2-5H3,(H,33,34,37)(H,35,36,38)
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PC sid
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PubMed
n/an/a 66n/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