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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor type B' and Ligand = 'BDBM50124470'   
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 receptor type B


(Homo sapiens (Human))		BDBM50124470
PNG
(CHEMBL264035 | Phenyl-carbamic acid 4-[6-(5-isopro...)
Show SMILES COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(cn2)C(C)C)nc(nc1OCC#CCOC(=O)Nc1ccccc1)N1CCOCC1
Show InChI InChI=1S/C34H36N6O8S/c1-24(2)25-15-16-29(35-23-25)49(42,43)39-31-30(48-28-14-8-7-13-27(28)44-3)32(38-33(37-31)40-17-21-45-22-18-40)46-19-9-10-20-47-34(41)36-26-11-5-4-6-12-26/h4-8,11-16,23-24H,17-22H2,1-3H3,(H,36,41)(H,37,38,39)
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PubMed
n/an/a 28n/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 ETB receptor

Bioorg Med Chem Lett 13: 955-9 (2003)


BindingDB Entry DOI: 10.7270/Q28C9VK8
More data for this
Ligand-Target Pair