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Compile Data Set for Download or QSAR

Found 121 hits Enz. Inhib. hit(s) with Target = 'Lanosterol synthase' AND taxid = 10116   
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
Lanosterol synthase


(Rattus norvegicus)
BDBM50003025
PNG
(1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...)
Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
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28n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against purified rat liver Oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES CC(CCC=C(C)C)SCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
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37n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES CC(C)=CCCSCCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
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180n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051375
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1
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300n/an/an/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Binding affinity towards competitive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051375
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-((E)-1,5,9-trimethyl-d...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C25H43NO/c1-19(2)10-8-11-20(3)12-9-13-21(4)26-17-15-22-24(5,6)23(27)14-16-25(22,7)18-26/h10,12,15,21,23,27H,8-9,11,13-14,16-18H2,1-7H3/b20-12+/t21?,23-,25+/m0/s1
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400n/an/an/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Binding affinity towards noncompetetive inhibition against rat microsomal Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055643
PNG
(2,2-Dimethyl-3-[(E)-3-methyl-7-((3E,7E)-4,8,12-tri...)
Show SMILES CC(CC\C=C(/C)CCC1OC1(C)C)SCC\C=C(/C)CC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-9-14-24(3)15-10-16-25(4)18-12-22-31-27(6)19-11-17-26(5)20-21-28-29(7,8)30-28/h13,15,17-18,27-28H,9-12,14,16,19-22H2,1-8H3/b24-15+,25-18+,26-17+
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500n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES CC(C)=CCCSCCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
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1.40E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES CC(CCC=C(C)C)SCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
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1.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES CC(CCC\C(C)=C\CC\C=C(/C)CC\C=C(\CCC=C(C)C)C=C)CCC1OC1C
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
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2.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290988
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)=CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
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2.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES CC(CCC\C(C)=C\CC\C=C(/C)CC\C=C(\CCC=C(C)C)C=C)CCC1OC1C
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
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4.40E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290991
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C31H52O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,16-17,19,22,25,30H,1,10-15,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055640
PNG
(3-[(3E,7E)-11-((E)-4,8-Dimethyl-nona-3,7-dienylsul...)
Show SMILES CC(C)=CCC\C(C)=C\CCSCCC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C28H48OS/c1-23(2)13-10-15-25(4)18-12-22-30-21-9-8-14-24(3)16-11-17-26(5)19-20-27-28(6,7)29-27/h13-14,17-18,27H,8-12,15-16,19-22H2,1-7H3/b24-14+,25-18+,26-17+
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4.50E+3n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for kinetic inhibition constant against Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290992
PNG
(3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...)
Show SMILES CC(C)=CCC\C(=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C)C=C(F)F
Show InChI InChI=1S/C31H48F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h13-15,17,20,23,29H,8-12,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1
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1.02E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290989
PNG
(3-[16-(2,2-Difluoro-vinyl)-3,7,12,20-tetramethyl-h...)
Show SMILES CC(C)CCC\C(=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C)C=C(F)F
Show InChI InChI=1S/C31H50F2O/c1-24(2)13-10-19-28(23-30(32)33)20-12-18-26(4)15-9-8-14-25(3)16-11-17-27(5)21-22-29-31(6,7)34-29/h14-15,17,20,23-24,29H,8-13,16,18-19,21-22H2,1-7H3/b25-14+,26-15+,27-17+,28-20-/t29-/m0/s1
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1.20E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for the binding affinity against rat liver oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055645
PNG
((6E,10E,14E)-2,6,10,15,19-Pentamethyl-21-(3-methyl...)
Show SMILES CC(C)CCC(=O)C(C)C=CC\C(C)=C\CC\C=C(/C)CCCC(C)CCC1OC1C
Show InChI InChI=1S/C29H50O2/c1-22(2)18-20-28(30)26(6)17-11-16-24(4)13-9-8-12-23(3)14-10-15-25(5)19-21-29-27(7)31-29/h11-13,17,22,25-27,29H,8-10,14-16,18-21H2,1-7H3/b17-11?,23-12+,24-13+
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6.00E+4n/an/an/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition constant against rat liver Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50133285
PNG
((E)-3-Carboxy-acrylateallyl-{6-[4-(4-chloro-benzoy...)
Show SMILES C[NH+](CCCCCCOc1ccc(C(=O)c2ccc(Cl)cc2)c(F)c1)CC=C
Show InChI InChI=1S/C23H27ClFNO2/c1-3-14-26(2)15-6-4-5-7-16-28-20-12-13-21(22(25)17-20)23(27)18-8-10-19(24)11-9-18/h3,8-13,17H,1,4-7,14-16H2,2H3/p+1
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n/an/a 49n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in rat


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50213692
PNG
(2,2-dimethyl-3-((E)-3-methyl-7-((3E,8E)-4,8,12-tri...)
Show SMILES CC(CC\C=C(/C)CCC1OC1(C)C)SCC\C=C(/C)CCC\C(C)=C\CC=C(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-9-14-24(3)15-10-16-25(4)18-12-22-31-27(6)19-11-17-26(5)20-21-28-29(7,8)30-28/h13-14,17-18,27-28H,9-12,15-16,19-22H2,1-8H3/b24-14+,25-18+,26-17+
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n/an/a 50n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat OSC


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES CC(CCC=C(C)C)SCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
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n/an/a 50n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat OSC


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055641
PNG
(2,2-dimethyl-3-((3E,7E,11E)-3,7,12-trimethyl-14-(6...)
Show SMILES CC(CCC=C(C)C)SCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C29H50OS/c1-23(2)13-11-18-27(6)31-22-21-26(5)15-10-9-14-24(3)16-12-17-25(4)19-20-28-29(7,8)30-28/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-17+,26-15+
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n/an/a 50n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50213696
PNG
(3-((3E,7E)-11-((E)-4,8-dimethylnona-4,7-dienylthio...)
Show SMILES CC(C)=CC\C=C(/C)CCCSCCC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C28H48OS/c1-23(2)13-10-15-25(4)18-12-22-30-21-9-8-14-24(3)16-11-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
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n/an/a 50n/an/an/an/an/an/a



Sinhgad College of Pharmacy

Curated by ChEMBL


Assay Description
Inhibition of rat OSC


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095601
PNG
(CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1
Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095601
PNG
(CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1
Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2
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n/an/a 58n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro percent inhibitory activityof the compound against rat microsomal OSC enzyme at 1 microM concentration


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095600
PNG
(CHEMBL148268 | [4-(4-Iodo-benzenesulfonyl)-piperaz...)
Show SMILES Ic1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25IN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
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n/an/a 82n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene cyclase-Lanosterol synthase (OSC)


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095599
PNG
(CHEMBL25285 | {4-[4-(4,5-Dihydro-oxazol-2-yl)-benz...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)=Cc1ccc(cc1)C1=NCCO1
Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095599
PNG
(CHEMBL25285 | {4-[4-(4,5-Dihydro-oxazol-2-yl)-benz...)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)N1CCC(CC1)=Cc1ccc(cc1)C1=NCCO1
Show InChI InChI=1S/C23H21F3N2O2/c24-23(25,26)20-7-5-19(6-8-20)22(29)28-12-9-17(10-13-28)15-16-1-3-18(4-2-16)21-27-11-14-30-21/h1-8,15H,9-14H2
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n/an/a 90n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50052351
PNG
(3-Biphenyl-4-yl-1-aza-bicyclo[2.2.2]octan-3-ol | 3...)
Show SMILES OC1(CN2CCC1CC2)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C19H21NO/c21-19(14-20-12-10-18(19)11-13-20)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-9,18,21H,10-14H2
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n/an/a>100n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of compound was measured on rat microsomal Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50075719
PNG
(3-[3-Allyl-4-(3-hydroxy-1-aza-bicyclo[2.2.2]oct-3-...)
Show SMILES CCOC(=O)CCc1ccc(C#CC2(O)CN3CCC2CC3)c(CC=C)c1
Show InChI InChI=1S/C23H29NO3/c1-3-5-20-16-18(7-9-22(25)27-4-2)6-8-19(20)10-13-23(26)17-24-14-11-21(23)12-15-24/h3,6,8,16,21,26H,1,4-5,7,9,11-12,14-15,17H2,2H3
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n/an/a>100n/an/an/an/an/an/a



Zeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of compound was measured on rat microsomal Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003025
PNG
(1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...)
Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051383
PNG
((4aR,6S,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC[C@@H]2[C@H](CC[C@H](O)C2(C)C)C1
Show InChI InChI=1S/C23H41NO/c1-18(2)9-8-11-19(3)10-6-7-15-24-16-14-21-20(17-24)12-13-22(25)23(21,4)5/h9-10,20-22,25H,6-8,11-17H2,1-5H3/b19-10+/t20-,21-,22+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase from Rat liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055639
PNG
(2-Methyl-2-(4-methyl-pent-3-enyl)-3-[(3E,7E)-3,8,1...)
Show SMILES CC(CCC\C(C)=C\CC\C=C(/C)CCC1OC1(C)CCC=C(C)C)CCC1OC1C
Show InChI InChI=1S/C29H50O2/c1-22(2)12-11-21-29(7)28(31-29)20-18-24(4)14-9-8-13-23(3)15-10-16-25(5)17-19-27-26(6)30-27/h12-14,25-28H,8-11,15-21H2,1-7H3/b23-13+,24-14+
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n/an/a 110n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Inhibition against rat liver Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50280127
PNG
(2,2-dimethyl-3-[3,7,12-trimethyl-14-[3-methyl-3-(4...)
Show SMILES CC(C)=CCCC1(C)OC1CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C30H50O2/c1-23(2)13-12-22-30(8)28(32-30)21-19-25(4)15-10-9-14-24(3)16-11-17-26(5)18-20-27-29(6,7)31-27/h13-15,17,27-28H,9-12,16,18-22H2,1-8H3/b24-14+,25-15+,26-17+
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibitory activity against 2,3-oxidosqualene-lanosterol cyclase in rat liver microsomes


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003025
PNG
(1-((4aS,5S,6S,8aS)-6-Hydroxy-5,8a-dimethyl-octahyd...)
Show SMILES CCCCCCCCCCCC(=O)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NO2/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


J Med Chem 35: 3581-3 (1992)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
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n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against rat OSC enzyme


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095598
PNG
(CHEMBL70223 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C20H24BrN5O3S/c21-17-1-3-18(4-2-17)30(28,29)26-13-11-25(12-14-26)20(27)16-6-9-24(10-7-16)19-5-8-22-15-23-19/h1-5,8,15-16H,6-7,9-14H2
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n/an/a 116n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095601
PNG
(CHEMBL25405 | [4-(1-Aza-bicyclo[2.2.2]oct-3-yloxy)...)
Show SMILES Clc1ccc(cc1)C(=O)c1ccc(OC2CN3CCC2CC3)cc1
Show InChI InChI=1S/C20H20ClNO2/c21-17-5-1-15(2-6-17)20(23)16-3-7-18(8-4-16)24-19-13-22-11-9-14(19)10-12-22/h1-8,14,19H,9-13H2
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n/an/a 160n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Tested for Oxidosqualene-lanosterol cyclase inhibition in rat


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003026
PNG
(1-(6-Hydroxy-5,8a-dimethyl-octahydro-isoquinolin-2...)
Show SMILES CCCCCCCCCCCC(=S)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H43NOS/c1-4-5-6-7-8-9-10-11-12-13-22(26)24-17-15-20-19(2)21(25)14-16-23(20,3)18-24/h19-21,25H,4-18H2,1-3H3/t19-,20-,21-,23+/m0/s1
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n/an/a 210n/an/an/an/an/an/a



Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


J Med Chem 35: 3581-3 (1992)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095596
PNG
(CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
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n/an/a 228n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095596
PNG
(CHEMBL70222 | [4-(4-Bromo-benzenesulfonyl)-piperaz...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)C1CCN(CC1)c1ccncc1
Show InChI InChI=1S/C21H25BrN4O3S/c22-18-1-3-20(4-2-18)30(28,29)26-15-13-25(14-16-26)21(27)17-7-11-24(12-8-17)19-5-9-23-10-6-19/h1-6,9-10,17H,7-8,11-16H2
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n/an/a 228n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Concentration for the inhibition of rat microsomal oxidosqualene cyclase-lanosterol synthase (OSC)


Bioorg Med Chem Lett 11: 2213-6 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055642
PNG
(2,2-Dimethyl-3-[(3E,7E,11E)-3,7,12-trimethyl-15-(4...)
Show SMILES CC(C)=CCCSCCC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CCC1OC1(C)C
Show InChI InChI=1S/C28H48OS/c1-23(2)13-11-21-30-22-12-18-25(4)15-9-8-14-24(3)16-10-17-26(5)19-20-27-28(6,7)29-27/h13-15,17,27H,8-12,16,18-22H2,1-7H3/b24-14+,25-15+,26-17+
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n/an/a 260n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290988
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)=CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
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n/an/a 300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Concentration that cause 50 percent inhibition of binding of [14C]-labeled (3S)-oxidosqualene to isolated rat liver oxidosqualene cyclase (OSC) was d...


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES CC(CCC\C(C)=C\CC\C=C(/C)CC\C=C(\CCC=C(C)C)C=C)CCC1OC1C
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
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n/an/a 300n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from rat liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095595
PNG
((4-Benzenesulfonyl-piperazin-1-yl)-(3,4,5,6-tetrah...)
Show SMILES O=C(C1CCN(CC1)c1ccncc1)N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C21H26N4O3S/c26-21(18-8-12-23(13-9-18)19-6-10-22-11-7-19)24-14-16-25(17-15-24)29(27,28)20-4-2-1-3-5-20/h1-7,10-11,18H,8-9,12-17H2
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n/an/a 326n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
In vitro inhibitory activityof the compound against rat microsomal 2,3-Oxidosqualene lanosterol cyclase (OSC)


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50095597
PNG
(CHEMBL359233 | [4-(4-Bromo-benzenesulfonyl)-pipera...)
Show SMILES Cc1nccc(n1)N1CCC(CC1)C(=O)N1CCN(CC1)S(=O)(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C21H26BrN5O3S/c1-16-23-9-6-20(24-16)25-10-7-17(8-11-25)21(28)26-12-14-27(15-13-26)31(29,30)19-4-2-18(22)3-5-19/h2-6,9,17H,7-8,10-15H2,1H3
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n/an/a 398n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Compound was tested for its inhibition against rat OSC enzyme


J Med Chem 43: 4964-72 (2001)

More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50062847
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)=CCC\C(C=C)=C\CCC(C)=CCCC=C(C)CCC=C(C)CCC1OC1(C)C
Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+
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Università di Torino

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of solubilized and partially purified pig liver Oxidosqualene-lanosterol cyclase


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281884
PNG
(2-(1-Dodecyl-piperidin-4-yl)-propan-1-ol | CHEMBL1...)
Show SMILES CCCCCCCCCCCCN1CCC(CC1)C(C)CO
Show InChI InChI=1S/C20H41NO/c1-3-4-5-6-7-8-9-10-11-12-15-21-16-13-20(14-17-21)19(2)18-22/h19-20,22H,3-18H2,1-2H3
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n/an/a 420n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50055644
PNG
(2-Methyl-3-((7E,11E,15Z)-3,7,12,20-tetramethyl-16-...)
Show SMILES CC(CCC\C(C)=C\CC\C=C(/C)CC\C=C(\CCC=C(C)C)C=C)CCC1OC1C
Show InChI InChI=1S/C30H50O/c1-8-29(20-11-14-24(2)3)21-13-19-26(5)16-10-9-15-25(4)17-12-18-27(6)22-23-30-28(7)31-30/h8,14-16,21,27-28,30H,1,9-13,17-20,22-23H2,2-7H3/b25-15+,26-16+,29-21+
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n/an/a 500n/an/an/an/an/an/a



Simon Fraser University

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of purified Oxidosqualene-lanosterol cyclase from pig liver


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50290988
PNG
(2,2-Dimethyl-3-(3,7,12,20-tetramethyl-16-vinyl-hen...)
Show SMILES CC(C)=CCC\C(C=C)=C\CC\C(C)=C\CC\C=C(/C)CC\C=C(/C)CC[C@@H]1OC1(C)C
Show InChI InChI=1S/C31H50O/c1-9-29(21-12-15-25(2)3)22-14-20-27(5)17-11-10-16-26(4)18-13-19-28(6)23-24-30-31(7,8)32-30/h9,15-17,19,22,30H,1,10-14,18,20-21,23-24H2,2-8H3/b26-16+,27-17+,28-19+,29-22+/t30-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound concentration that cause 50% inhibition of pig liver oxidosqualene cyclase (OSC) was determined


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003032
PNG
((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...)
Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1
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TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against purified rat liver Oxidosqualene cyclase (OSC)


Citation and Details
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003032
PNG
((4aS,5S,6S,8aS)-2-Dodecyl-5,8a-dimethyl-decahydro-...)
Show SMILES CCCCCCCCCCCCN1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C23H45NO/c1-4-5-6-7-8-9-10-11-12-13-17-24-18-15-21-20(2)22(25)14-16-23(21,3)19-24/h20-22,25H,4-19H2,1-3H3/t20-,21-,22-,23+/m0/s1
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Marion Merrell Dow Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against Oxidosqualene-lanosterol cyclase enzyme obtained from rat liver


J Med Chem 35: 3581-3 (1992)

More data for this
Ligand-Target Pair
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