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PubMed code 2342064

Compile data set for download or QSAR
Found 6 hits of Enzyme Inhibition Constant Data   
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))
BDBM50015507
PNG
(4,8,13,17,21-Pentamethyl-docosa-4,8,12,16,20-penta...)
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]-[#8]
Show InChI InChI=1S/C27H46O/c1-23(2)13-9-16-26(5)19-10-17-24(3)14-7-8-15-25(4)18-11-20-27(6)21-12-22-28/h13-15,19-20,28H,7-12,16-18,21-22H2,1-6H3/b24-14+,25-15+,26-19+,27-20+
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n/an/a 4.00E+3n/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
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50015503
PNG
(5,9,14,18,22-Pentamethyl-tricosa-5,9,13,17,21-pent...)
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]-[#8]
Show InChI InChI=1S/C28H48O/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/h14-16,21-22,29H,7-13,17-20,23H2,1-6H3/b25-15+,26-16+,27-21+,28-22+
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n/an/a 4.00E+3n/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
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+
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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
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50015505
PNG
(4,9,13,17-Tetramethyl-octadeca-4,8,12,16-tetraen-1...)
Show SMILES [#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/C22H38O/c1-19(2)11-8-14-22(5)16-9-15-20(3)12-6-7-13-21(4)17-10-18-23/h11-13,16,23H,6-10,14-15,17-18H2,1-5H3/b20-12+,21-13+,22-16+
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n/an/a 1.00E+5n/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
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50015504
PNG
(5,9,13-Trimethyl-tetradeca-4,8,12-trien-1-ol | CHE...)
Show SMILES [#6]\[#6](-[#6])=[#6]/[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6]-[#8]
Show InChI InChI=1S/C17H30O/c1-15(2)9-7-11-17(4)13-8-12-16(3)10-5-6-14-18/h9-10,13,18H,5-8,11-12,14H2,1-4H3/b16-10+,17-13+
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PubMed
n/an/a>4.00E+5n/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
Squalene monooxygenase


(Homo sapiens (Human))
BDBM50015506
PNG
(4,8,12,17,21,25-Hexamethyl-hexacosa-4,8,12,16,20,2...)
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](/[#6])-[#6]-[#6]-[#6]-[#8]
Show InChI InChI=1S/C32H54O/c1-27(2)15-10-18-30(5)21-11-19-28(3)16-8-9-17-29(4)20-12-22-31(6)23-13-24-32(7)25-14-26-33/h15-17,21-22,24,33H,8-14,18-20,23,25-26H2,1-7H3/b28-16+,29-17+,30-21+,31-22+,32-24+
PDB

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PubMed
n/an/a>4.00E+5n/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
* indicates data uncertainty>20%