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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 = 'BDBM50105012'   
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


(Sus scrofa)		BDBM50105012
PNG
(4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(quinol...)
Show SMILES COc1cccc(Oc2c(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)ncnc2OCCOc2ccc3ccccc3n2)c1
Show InChI InChI=1S/C32H32N4O6S/c1-32(2,3)23-13-15-26(16-14-23)43(37,38)36-30-29(42-25-10-7-9-24(20-25)39-4)31(34-21-33-30)41-19-18-40-28-17-12-22-8-5-6-11-27(22)35-28/h5-17,20-21H,18-19H2,1-4H3,(H,33,34,36)
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PubMed
n/an/a 15.2n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
In vitro inhibition of [125I]-ET-1 binding to Endothelin A receptor in porcine aortic membrane from endothelial cells

J Med Chem 44: 3355-68 (2001)


BindingDB Entry DOI: 10.7270/Q2QN662B
More data for this
Ligand-Target Pair