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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 = 'BDBM50124498'   
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))		BDBM50124498
PNG
(CHEMBL368386 | Pyridin-2-yl-carbamic acid 4-[6-(5-...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccn1)-c1ccncc1
Show InChI InChI=1S/C34H31N7O7S/c1-23(2)25-13-14-29(37-22-25)49(43,44)41-32-30(48-27-11-5-4-10-26(27)45-3)33(40-31(39-32)24-15-18-35-19-16-24)46-20-8-9-21-47-34(42)38-28-12-6-7-17-36-28/h4-7,10-19,22-23H,20-21H2,1-3H3,(H,36,38,42)(H,39,40,41)
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n/an/a 7n/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