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BDBM50281968 CHEMBL9533::N-Methyl-N-((4E,12E,16E,20E)-4,8,13,17,21-pentamethyl-docosa-4,8,12,16,20-pentaenyl)-hydroxylamine

SMILES: [#6]-[#7](-[#8])-[#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]

InChI Key: InChIKey=XDCOOAPVFVOYRQ-BANQPHDMSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50281968   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Squalene monooxygenase


(Homo sapiens (Human))		BDBM50281968
PNG
(CHEMBL9533 | N-Methyl-N-((4E,12E,16E,20E)-4,8,13,1...)
Show SMILES [#6]-[#7](-[#8])-[#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]
Show InChI InChI=1S/C28H49NO/c1-24(2)14-10-17-27(5)20-11-18-25(3)15-8-9-16-26(4)19-12-21-28(6)22-13-23-29(7)30/h14-16,20-21,30H,8-13,17-19,22-23H2,1-7H3/b25-15+,26-16+,27-20+,28-21+
PDB

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PC cid
PC sid
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Article
n/an/a 1.30E+4n/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