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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene monooxygenase' and Ligand = 'BDBM50281969'   
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
Squalene monooxygenase


(Homo sapiens (Human))		BDBM50281969
PNG
((1E,5E,9E,13E,17E)-5,9,14,18,22-Pentamethyl-1-nitr...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6]\[#7+](-[#8-])=O
Show InChI InChI=1S/C28H45NO2/c1-24(2)14-11-18-28(6)22-13-20-26(4)16-8-7-15-25(3)19-12-21-27(5)17-9-10-23-29(30)31/h10,14-16,21-23H,7-9,11-13,17-20H2,1-6H3/b23-10+,25-15+,26-16+,27-21+,28-22+
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PC cid
PC sid
UniChem
Article
n/an/a>4.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound at which 50% decrease in the activity of Squalene epoxidase in pig liver microsomes

Bioorg Med Chem Lett 3: 1319-1322 (1993)


Article DOI: 10.1016/S0960-894X(00)80339-X
BindingDB Entry DOI: 10.7270/Q25X28W6
More data for this
Ligand-Target Pair