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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 = 'BDBM50124488'   
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))		BDBM50124488
PNG
(4-tert-Butyl-N-[5-(2-methoxy-phenoxy)-6-pent-2-yny...)
Show SMILES CCC#CCOc1nc(nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)c1Oc1ccccc1OC)-c1ncccn1
Show InChI InChI=1S/C30H31N5O5S/c1-6-7-10-20-39-29-25(40-24-13-9-8-12-23(24)38-5)26(33-28(34-29)27-31-18-11-19-32-27)35-41(36,37)22-16-14-21(15-17-22)30(2,3)4/h8-9,11-19H,6,20H2,1-5H3,(H,33,34,35)
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PubMed
n/an/a 59n/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