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BDBM50015508 3,7,12,16,20-Pentamethyl-henicosa-3,7,11,15,19-pentaen-1-ol::CHEMBL47577

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]-[#8]

InChI Key: InChIKey=FZBHDJAAQBITEW-KDSGDVRDSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50015508   
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))		BDBM50015508
PNG
(3,7,12,16,20-Pentamethyl-henicosa-3,7,11,15,19-pen...)
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]-[#8]
Show InChI InChI=1S/C26H44O/c1-22(2)12-9-15-25(5)18-10-16-23(3)13-7-8-14-24(4)17-11-19-26(6)20-21-27/h12-14,18-19,27H,7-11,15-17,20-21H2,1-6H3/b23-13+,24-14+,25-18+,26-19+
PDB

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PC cid
PC sid
UniChem
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibition of pig liver squalene epoxidase

J Med Chem 33: 1698-701 (1990)


BindingDB Entry DOI: 10.7270/Q2HQ3XWG
More data for this
Ligand-Target Pair