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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 = 'BDBM50290949'   
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


(RAT)		BDBM50290949
PNG
(CHEMBL94918 | N-[2-Benzo[1,3]dioxol-5-yl-2-(3,5-di...)
Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)NC(=O)C(c1ccc2OCOc2c1)n1nc(C)cc(C)c1=O
Show InChI InChI=1S/C24H25N3O6S/c1-14(2)17-5-8-19(9-6-17)34(30,31)26-23(28)22(27-24(29)15(3)11-16(4)25-27)18-7-10-20-21(12-18)33-13-32-20/h5-12,14,22H,13H2,1-4H3,(H,26,28)
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Article
n/an/a 29n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the antagonism at the Endothelin A receptor (G-protein coupled endothelin A)

Bioorg Med Chem Lett 7: 275-280 (1997)


Article DOI: 10.1016/S0960-894X(96)00617-8
BindingDB Entry DOI: 10.7270/Q2QF8SWT
More data for this
Ligand-Target Pair