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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 = 'BDBM50124482'   
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))		BDBM50124482
PNG
(5-Isopropyl-pyridine-2-sulfonic acid {5-(2-methoxy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)-c1ccnc(c1)-c1nc(=S)o[nH]1
Show InChI InChI=1S/C29H25N7O6S2/c1-5-14-40-28-24(41-22-9-7-6-8-21(22)39-4)27(36-44(37,38)23-11-10-19(16-31-23)17(2)3)32-25(33-28)18-12-13-30-20(15-18)26-34-29(43)42-35-26/h1,6-13,15-17H,14H2,2-4H3,(H,32,33,36)(H,34,35,43)
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PC cid
PC sid
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PubMed
n/an/a 27n/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