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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 = 'BDBM50124475'   
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))		BDBM50124475
PNG
(5-Isopropyl-pyridine-2-sulfonic acid [5-(2-methoxy...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#C)N1CCOCC1
Show InChI InChI=1S/C26H29N5O6S/c1-5-14-36-25-23(37-21-9-7-6-8-20(21)34-4)24(28-26(29-25)31-12-15-35-16-13-31)30-38(32,33)22-11-10-19(17-27-22)18(2)3/h1,6-11,17-18H,12-16H2,2-4H3,(H,28,29,30)
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PC cid
PC sid
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Similars
PubMed
n/an/a 121n/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