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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 = 'BDBM50104984'   
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)		BDBM50104984
PNG
(4-tert-Butyl-N-{6-[2-(5-methylsulfanyl-pyrimidin-2...)
Show SMILES CSc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(cc3)C(C)(C)C)c2-c2ccc3ccccc3c2)nc1
Show InChI InChI=1S/C31H31N5O4S2/c1-31(2,3)24-11-13-26(14-12-24)42(37,38)36-28-27(23-10-9-21-7-5-6-8-22(21)17-23)29(35-20-34-28)39-15-16-40-30-32-18-25(41-4)19-33-30/h5-14,17-20H,15-16H2,1-4H3,(H,34,35,36)
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Similars
PubMed
n/an/a 0.290n/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