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Compile Data Set for Download or QSAR

Found 88 hits Enz. Inhib. hit(s) with Target = 'Squalene monooxygenase' AND taxid = 9606   
Target
(Institution)
LigandTarget
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)
BDBM50018518
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-methyl-naphtha...)
Show SMILES CN(C\C=C\C#CC(C)(C)C)Cc1cccc2ccccc12
Show InChI InChI=1S/C21H25N/c1-21(2,3)15-8-5-9-16-22(4)17-19-13-10-12-18-11-6-7-14-20(18)19/h5-7,9-14H,16-17H2,1-4H3/b9-5+
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30n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Inhibitory activity against Candida albicans Squalene Epoxidase


J Med Chem 32: 2152-8 (1989)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50286540
PNG
(1N-[20-(6-aminohexylamino)-4,8,13,17-tetramethyl-(...)
Show SMILES C\C(CCCNCCCCCCN)=C/CC\C(C)=C\CCC=C(C)CC\C=C(/C)CCCNC1CC1
Show InChI InChI=1S/C33H61N3/c1-29(17-11-19-31(3)21-13-27-35-26-10-6-5-9-25-34)15-7-8-16-30(2)18-12-20-32(4)22-14-28-36-33-23-24-33/h15-16,19-20,33,35-36H,5-14,17-18,21-28,34H2,1-4H3/b29-15+,30-16+,31-19+,32-20+
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Article
2.40E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
The compound was tested for its inhibitory activity against pig Squalene epoxidase at pH 7.4


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50279929
PNG
((2Z,6E,10E,14E)-6,11,15,19-Tetramethyl-2-(4-methyl...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/CO)CCC=C(C)C
Show InChI InChI=1S/C30H50O/c1-25(2)14-10-18-29(7)20-12-19-27(5)16-8-9-17-28(6)21-13-23-30(24-31)22-11-15-26(3)4/h14-17,20,23,31H,8-13,18-19,21-22,24H2,1-7H3/b27-16+,28-17+,29-20+,30-23-
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4.00E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound was measured against partially purified pig liver Squalene epoxidase (SE).


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50018524
PNG
(6,10,15,19,23-Pentamethyl-tetracosa-6,10,14,18,22-...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC(O)C#C
Show InChI InChI=1S/C29H46O/c1-8-29(30)23-22-28(7)21-13-19-26(5)16-10-9-15-25(4)18-12-20-27(6)17-11-14-24(2)3/h1,14-16,20-21,29-30H,9-13,17-19,22-23H2,2-7H3/b25-15+,26-16+,27-20+,28-21+
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9.50E+5n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Apparent inhibitory constant of the compound against squalene epoxidase


J Med Chem 32: 2152-8 (1989)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50018522
PNG
(6,10,15,19-Tetramethyl-tetracosa-6,10,14,18-tetrae...)
Show SMILES C\C(CC\C=C(/C)CCC(O)C#C)=C/CC\C=C(/C)CC\C=C(/C)CCC(O)C#C
Show InChI InChI=1S/C28H42O2/c1-7-27(29)21-19-25(5)17-11-15-23(3)13-9-10-14-24(4)16-12-18-26(6)20-22-28(30)8-2/h1-2,13-14,17-18,27-30H,9-12,15-16,19-22H2,3-6H3/b23-13+,24-14+,25-17+,26-18+
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1.00E+6n/an/an/an/an/an/an/an/a



State University of New York

Curated by ChEMBL


Assay Description
Apparent inhibitory constant of the compound against squalene epoxidase


J Med Chem 32: 2152-8 (1989)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032850
PNG
(CHEMBL27885 | [3-([3,3']Bithiophenyl-5-ylmethoxy)-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Show InChI InChI=1S/C27H31NOS2/c1-5-28(14-8-6-7-13-27(2,3)4)18-22-10-9-11-25(16-22)29-19-26-17-24(21-31-26)23-12-15-30-20-23/h6,8-12,15-17,20-21H,5,14,18-19H2,1-4H3/b8-6+
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n/an/a 20n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032836
PNG
(4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+
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n/an/a 20n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032836
PNG
(4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-10-8-9-18-28(2,3)4)22-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(21-29)15-17-27/h8,10-17,20H,7,19,22-23H2,1-6H3/b10-8+
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n/an/a 20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032843
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032853
PNG
(2-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C#N)c1
Show InChI InChI=1S/C28H36N2OSi/c1-7-30(19-12-8-11-18-28(2,3)4)22-24-14-13-16-26(20-24)31-23-32(5,6)27-17-10-9-15-25(27)21-29/h8-10,12-17,20H,7,19,22-23H2,1-6H3/b12-8+
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n/an/a 30n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032843
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+
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n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of pig liver microsomal squalene epoxidase.


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070340
PNG
(CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+
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n/an/a 50n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of pig liver squalene epoxidase in HepG2 cells


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032856
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(4-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H36FNOSi/c1-7-29(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)30-22-31(5,6)26-16-14-24(28)15-17-26/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+
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n/an/a 60n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070340
PNG
(CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+
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n/an/a 60n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032847
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-(3-{[dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C(F)(F)F)c1
Show InChI InChI=1S/C28H36F3NOSi/c1-7-32(19-12-8-11-18-27(2,3)4)21-23-14-13-15-24(20-23)33-22-34(5,6)26-17-10-9-16-25(26)28(29,30)31/h8-10,12-17,20H,7,19,21-22H2,1-6H3/b12-8+
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n/an/a 70n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032837
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-(3-{[dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C=C)cc2)c1
Show InChI InChI=1S/C29H39NOSi/c1-8-25-16-18-28(19-17-25)32(6,7)24-31-27-15-13-14-26(22-27)23-30(9-2)21-12-10-11-20-29(3,4)5/h8,10,12-19,22H,1,9,21,23-24H2,2-7H3/b12-10+
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n/an/a 70n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032830
PNG
(CHEMBL107568 | {3-[(Dimethyl-o-tolyl-silanyl)-meth...)
Show SMILES CCN(CC#CC#CC(C)(C)OC)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
Show InChI InChI=1S/C28H37NO2Si/c1-8-29(20-13-9-12-19-28(3,4)30-5)22-25-16-14-17-26(21-25)31-23-32(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
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n/an/a 70n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070340
PNG
(CHEMBL281025 | Thiophene-2-sulfonic acid [2-(3-{[(...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(16-9-7-8-15-25(2,3)4)21-22-12-10-13-23(20-22)30-18-17-26(5)32(28,29)24-14-11-19-31-24/h7,9-14,19-20H,6,16-18,21H2,1-5H3/b9-7+
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n/an/a 80n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for the inhibition of dog liver squalene epoxidase in HepG2 cells


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070337
PNG
(CHEMBL27154 | [3,3']Bithiophenyl-5-sulfonic acid [...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(cs2)-c2ccsc2)c1
Show InChI InChI=1S/C29H36N2O3S3/c1-6-31(15-9-7-8-14-29(2,3)4)21-24-11-10-12-27(19-24)34-17-16-30(5)37(32,33)28-20-26(23-36-28)25-13-18-35-22-25/h7,9-13,18-20,22-23H,6,15-17,21H2,1-5H3/b9-7+
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n/an/a 90n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070344
PNG
(CHEMBL26950 | Thiophene-2-sulfonic acid [2-(3-{[((...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(CC)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C26H36N2O3S2/c1-6-27(17-10-8-9-16-26(3,4)5)22-23-13-11-14-24(21-23)31-19-18-28(7-2)33(29,30)25-15-12-20-32-25/h8,10-15,20-21H,6-7,17-19,22H2,1-5H3/b10-8+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032848
PNG
((6,6-Dimethyl-hepta-2,4-diynyl)-{3-[(dimethyl-o-to...)
Show SMILES CCN(CC#CC#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2C)c1
Show InChI InChI=1S/C28H37NOSi/c1-8-29(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)30-23-31(6,7)27-18-11-10-15-24(27)2/h10-11,14-18,21H,8,20,22-23H2,1-7H3
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n/an/a 90n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50288841
PNG
((3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-ami...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(NC[Si](C)(C)c2ccccc2C)c1
Show InChI InChI=1S/C28H40N2Si/c1-8-30(20-13-9-12-19-28(3,4)5)22-25-16-14-17-26(21-25)29-23-31(6,7)27-18-11-10-15-24(27)2/h9-11,13-18,21,29H,8,20,22-23H2,1-7H3/b13-9+
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of pig liver microsomal squalene epoxidase.


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032834
PNG
(4-[(3-{[((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C=O)cc2)c1
Show InChI InChI=1S/C28H37NO2Si/c1-7-29(19-10-8-9-18-28(2,3)4)21-25-12-11-13-26(20-25)31-23-32(5,6)27-16-14-24(22-30)15-17-27/h8,10-17,20,22H,7,19,21,23H2,1-6H3/b10-8+
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Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50291660
PNG
(CHEMBL16178 | [3-([3,3']Bithiophenyl-5-ylmethoxy)-...)
Show SMILES CCN(CC#Cc1ccccc1)Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Show InChI InChI=1S/C27H25NOS2/c1-2-28(14-7-11-22-8-4-3-5-9-22)18-23-10-6-12-26(16-23)29-19-27-17-25(21-31-27)24-13-15-30-20-24/h3-6,8-10,12-13,15-17,20-21H,2,14,18-19H2,1H3
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032832
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(C)cc2)c1
Show InChI InChI=1S/C28H39NOSi/c1-8-29(20-11-9-10-19-28(3,4)5)22-25-13-12-14-26(21-25)30-23-31(6,7)27-17-15-24(2)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+
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Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032842
PNG
(CHEMBL108144 | {3-[(Benzyl-dimethyl-silanyl)-metho...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)Cc2ccccc2)c1
Show InChI InChI=1S/C28H39NOSi/c1-7-29(20-13-9-12-19-28(2,3)4)22-26-17-14-18-27(21-26)30-24-31(5,6)23-25-15-10-8-11-16-25/h8-11,13-18,21H,7,20,22-24H2,1-6H3/b13-9+
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n/an/a 130n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032840
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(2-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2OC)c1
Show InChI InChI=1S/C28H39NO2Si/c1-8-29(20-13-9-12-19-28(2,3)4)22-24-15-14-16-25(21-24)31-23-32(6,7)27-18-11-10-17-26(27)30-5/h9-11,13-18,21H,8,20,22-23H2,1-7H3/b13-9+
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Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070341
PNG
(CHEMBL26151 | Pyridine-3-sulfonic acid [2-(3-{[((E...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cccnc2)c1
Show InChI InChI=1S/C26H35N3O3S/c1-6-29(17-9-7-8-15-26(2,3)4)22-23-12-10-13-24(20-23)32-19-18-28(5)33(30,31)25-14-11-16-27-21-25/h7,9-14,16,20-21H,6,17-19,22H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032844
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-{3-[(dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccccc2)c1
Show InChI InChI=1S/C27H37NOSi/c1-7-28(20-13-9-12-19-27(2,3)4)22-24-15-14-16-25(21-24)29-23-30(5,6)26-17-10-8-11-18-26/h8-11,13-18,21H,7,20,22-23H2,1-6H3/b13-9+
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Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070343
PNG
(CHEMBL26596 | Thiazole-2-sulfonic acid [2-(3-{[((E...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2nccs2)c1
Show InChI InChI=1S/C24H33N3O3S2/c1-6-27(15-9-7-8-13-24(2,3)4)20-21-11-10-12-22(19-21)30-17-16-26(5)32(28,29)23-25-14-18-31-23/h7,9-12,14,18-19H,6,15-17,20H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070345
PNG
(CHEMBL26964 | Thiophene-2-sulfonic acid [2-(3-{[((...)
Show SMILES CCCN(CCOc1cccc(CN(CC)C\C=C\C#CC(C)(C)C)c1)S(=O)(=O)c1cccs1
Show InChI InChI=1S/C27H38N2O3S2/c1-6-17-29(34(30,31)26-15-12-21-33-26)19-20-32-25-14-11-13-24(22-25)23-28(7-2)18-10-8-9-16-27(3,4)5/h8,10-15,21-22H,6-7,17-20,23H2,1-5H3/b10-8+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070350
PNG
(CHEMBL284197 | N-[2-(3-{[((E)-6,6-Dimethyl-hept-2-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)Cc2cccs2)c1
Show InChI InChI=1S/C26H36N2O3S2/c1-6-28(16-9-7-8-15-26(2,3)4)21-23-12-10-13-24(20-23)31-18-17-27(5)33(29,30)22-25-14-11-19-32-25/h7,9-14,19-20H,6,16-18,21-22H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070331
PNG
(4-Cyano-N-[2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-yn...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(cc2)C#N)c1
Show InChI InChI=1S/C28H35N3O3S/c1-6-31(18-9-7-8-17-28(2,3)4)23-25-11-10-12-26(21-25)34-20-19-30(5)35(32,33)27-15-13-24(22-29)14-16-27/h7,9-16,21H,6,18-20,23H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070346
PNG
(CHEMBL27941 | [2,3']Bithiophenyl-5-sulfonic acid [...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(s2)-c2ccsc2)c1
Show InChI InChI=1S/C29H36N2O3S3/c1-6-31(17-9-7-8-16-29(2,3)4)22-24-11-10-12-26(21-24)34-19-18-30(5)37(32,33)28-14-13-27(36-28)25-15-20-35-23-25/h7,9-15,20-21,23H,6,17-19,22H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032835
PNG
((3-{[(4-Bromo-phenyl)-dimethyl-silanyl]-methoxy}-b...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H36BrNOSi/c1-7-29(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)30-22-31(5,6)26-16-14-24(28)15-17-26/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+
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Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070342
PNG
(CHEMBL26077 | Thiophene-2-sulfonic acid cyclopropy...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C2CC2)S(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C27H36N2O3S2/c1-5-28(17-8-6-7-16-27(2,3)4)22-23-11-9-12-25(21-23)32-19-18-29(24-14-15-24)34(30,31)26-13-10-20-33-26/h6,8-13,20-21,24H,5,14-15,17-19,22H2,1-4H3/b8-6+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070349
PNG
(CHEMBL26597 | Thiophene-3-sulfonic acid [2-(3-{[((...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccsc2)c1
Show InChI InChI=1S/C25H34N2O3S2/c1-6-27(15-9-7-8-14-25(2,3)4)20-22-11-10-12-23(19-22)30-17-16-26(5)32(28,29)24-13-18-31-21-24/h7,9-13,18-19,21H,6,15-17,20H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070333
PNG
(CHEMBL281666 | N-[2-(3-{[((E)-6,6-Dimethyl-hept-2-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(F)cc2)c1
Show InChI InChI=1S/C27H35FN2O3S/c1-6-30(18-9-7-8-17-27(2,3)4)22-23-11-10-12-25(21-23)33-20-19-29(5)34(31,32)26-15-13-24(28)14-16-26/h7,9-16,21H,6,18-20,22H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50291661
PNG
(CHEMBL267332 | [3-(3-Azido-phenyl)-prop-2-ynyl]-[3...)
Show SMILES CCN(CC#Cc1cccc(c1)N=[N+]=[N-])Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Show InChI InChI=1S/C27H24N4OS2/c1-2-31(12-5-8-21-6-3-9-25(14-21)29-30-28)17-22-7-4-10-26(15-22)32-18-27-16-24(20-34-27)23-11-13-33-19-23/h3-4,6-7,9-11,13-16,19-20H,2,12,17-18H2,1H3
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TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070348
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-{3-[3-(t...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCCS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C25H33NO3S2/c1-5-26(16-8-6-7-15-25(2,3)4)21-22-12-9-13-23(20-22)29-17-11-19-31(27,28)24-14-10-18-30-24/h6,8-10,12-14,18,20H,5,11,16-17,19,21H2,1-4H3/b8-6+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070339
PNG
(4-Bromo-thiophene-2-sulfonic acid [2-(3-{[((E)-6,6...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(Br)cs2)c1
Show InChI InChI=1S/C25H33BrN2O3S2/c1-6-28(14-9-7-8-13-25(2,3)4)19-21-11-10-12-23(17-21)31-16-15-27(5)33(29,30)24-18-22(26)20-32-24/h7,9-12,17-18,20H,6,14-16,19H2,1-5H3/b9-7+
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Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070347
PNG
(4-Bromo-N-[2-(3-{[((E)-6,6-dimethyl-hept-2-en-4-yn...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(Br)cc2)c1
Show InChI InChI=1S/C27H35BrN2O3S/c1-6-30(18-9-7-8-17-27(2,3)4)22-23-11-10-12-25(21-23)33-20-19-29(5)34(31,32)26-15-13-24(28)14-16-26/h7,9-16,21H,6,18-20,22H2,1-5H3/b9-7+
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n/an/a 330n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070338
PNG
(5-Bromo-thiophene-2-sulfonic acid [2-(3-{[((E)-6,6...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2ccc(Br)s2)c1
Show InChI InChI=1S/C25H33BrN2O3S2/c1-6-28(16-9-7-8-15-25(2,3)4)20-21-11-10-12-22(19-21)31-18-17-27(5)33(29,30)24-14-13-23(26)32-24/h7,9-14,19H,6,16-18,20H2,1-5H3/b9-7+
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n/an/a 390n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032831
PNG
((3-{[(4-Chloro-phenyl)-dimethyl-silanyl]-methoxy}-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(Cl)cc2)c1
Show InChI InChI=1S/C27H36ClNOSi/c1-7-29(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)30-22-31(5,6)26-16-14-24(28)15-17-26/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+
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n/an/a 400n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50070335
PNG
(CHEMBL280972 | Thiophene-2-sulfonic acid [2-(3-{[(...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OCCNS(=O)(=O)c2cccs2)c1
Show InChI InChI=1S/C24H32N2O3S2/c1-5-26(16-8-6-7-14-24(2,3)4)20-21-11-9-12-22(19-21)29-17-15-25-31(27,28)23-13-10-18-30-23/h6,8-13,18-19,25H,5,15-17,20H2,1-4H3/b8-6+
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n/an/a 450n/an/an/an/an/an/a



Centre de Recherche Pierre Fabre

Curated by ChEMBL


Assay Description
In vitro inhibition of cholesterol biosynthesis in human HepG2 cells.


Bioorg Med Chem Lett 8: 1337-42 (1999)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50291658
PNG
((3-{[(4-Azido-phenyl)-dimethyl-silanyl]-methoxy}-b...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)N=[N+]=[N-])c1
Show InChI InChI=1S/C27H36N4OSi/c1-7-31(19-10-8-9-18-27(2,3)4)21-23-12-11-13-25(20-23)32-22-33(5,6)26-16-14-24(15-17-26)29-30-28/h8,10-17,20H,7,19,21-22H2,1-6H3/b10-8+
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n/an/a 520n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032851
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(4-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(OC)cc2)c1
Show InChI InChI=1S/C28H39NO2Si/c1-8-29(20-11-9-10-19-28(2,3)4)22-24-13-12-14-26(21-24)31-23-32(6,7)27-17-15-25(30-5)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+
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n/an/a 870n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50291659
PNG
(CHEMBL16120 | [3-(4-Azido-phenyl)-prop-2-ynyl]-[3-...)
Show SMILES CCN(CC#Cc1ccc(cc1)N=[N+]=[N-])Cc1cccc(OCc2cc(cs2)-c2ccsc2)c1
Show InChI InChI=1S/C27H24N4OS2/c1-2-31(13-4-6-21-8-10-25(11-9-21)29-30-28)17-22-5-3-7-26(15-22)32-18-27-16-24(20-34-27)23-12-14-33-19-23/h3,5,7-12,14-16,19-20H,2,13,17-18H2,1H3
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n/an/a 960n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of pig liver microsomal squalene epoxidase (SE) by measuring the extend of cholesterol radiolabeling after incubation with [14C]-...


Citation and Details
More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032839
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-(3-{[dimethyl-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(SC)cc2)c1
Show InChI InChI=1S/C28H39NOSSi/c1-8-29(20-11-9-10-19-28(2,3)4)22-24-13-12-14-25(21-24)30-23-32(6,7)27-17-15-26(31-5)16-18-27/h9,11-18,21H,8,20,22-23H2,1-7H3/b11-9+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
Squalene monooxygenase


(Homo sapiens)
BDBM50032833
PNG
(((E)-6,6-Dimethyl-hept-2-en-4-ynyl)-ethyl-(3-{[(4-...)
Show SMILES CCN(C\C=C\C#CC(C)(C)C)Cc1cccc(OC[Si](C)(C)c2ccc(cc2)C#C)c1
Show InChI InChI=1S/C29H37NOSi/c1-8-25-16-18-28(19-17-25)32(6,7)24-31-27-15-13-14-26(22-27)23-30(9-2)21-12-10-11-20-29(3,4)5/h1,10,12-19,22H,9,21,23-24H2,2-7H3/b12-10+
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n/an/a 1.00E+3n/an/an/an/an/an/a



Centre de Recherche Pierre FABRE

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against pig liver microsomal squalene epoxidase


J Med Chem 38: 3207-16 (1995)

More data for this
Ligand-Target Pair
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