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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 = 'BDBM50104997'   
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)		BDBM50104997
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-c2ccc(cc2)C(F)(F)F)nc1
Show InChI InChI=1S/C28H28F3N5O4S2/c1-27(2,3)19-9-11-22(12-10-19)42(37,38)36-24-23(18-5-7-20(8-6-18)28(29,30)31)25(35-17-34-24)39-13-14-40-26-32-15-21(41-4)16-33-26/h5-12,15-17H,13-14H2,1-4H3,(H,34,35,36)
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PubMed
n/an/a 0.00170n/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