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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 = 'BDBM50104994'   
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)		BDBM50104994
PNG
(4-tert-Butyl-N-{5-furan-2-yl-6-[2-(5-methylsulfany...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccco2)nc1
Show InChI InChI=1S/C25H27N5O5S2/c1-25(2,3)17-7-9-19(10-8-17)37(31,32)30-22-21(20-6-5-11-33-20)23(29-16-28-22)34-12-13-35-24-26-14-18(36-4)15-27-24/h5-11,14-16H,12-13H2,1-4H3,(H,28,29,30)
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PubMed
n/an/a 2.90n/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