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Compile Data Set for Download or QSAR

Found 17 hits Enz. Inhib. hit(s) with all data for entry = 50029162   
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
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)


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
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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TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
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)


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
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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n/an/a 550n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281889
PNG
(1-(1,5,9-Trimethyl-decyl)-piperidine | CHEMBL41817...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CCCCC1
Show InChI InChI=1S/C18H37N/c1-16(2)10-8-11-17(3)12-9-13-18(4)19-14-6-5-7-15-19/h16-18H,5-15H2,1-4H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281895
PNG
(1-(1,5,9-Trimethyl-decyl)-piperidin-4-ol | CHEMBL1...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CCC(O)CC1
Show InChI InChI=1S/C18H37NO/c1-15(2)7-5-8-16(3)9-6-10-17(4)19-13-11-18(20)12-14-19/h15-18,20H,5-14H2,1-4H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281888
PNG
(2-[1-(1,5,9-Trimethyl-decyl)-piperidin-4-yl]-propa...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CCC(CC1)C(C)CO
Show InChI InChI=1S/C21H43NO/c1-17(2)8-6-9-18(3)10-7-11-20(5)22-14-12-21(13-15-22)19(4)16-23/h17-21,23H,6-16H2,1-5H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003027
PNG
((4aS,5S,6S,8aS)-5,8a-Dimethyl-2-(1,5,9-trimethyl-d...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H47NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h18-23,26H,7-17H2,1-6H3/t19?,20?,21-,22-,23-,24+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281893
PNG
((4aS,5S,6S,8aS)-5,8a-Dimethyl-2-((E)-1,5,9-trimeth...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CC[C@H]2[C@H](C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H43NO/c1-18(2)9-7-10-19(3)11-8-12-20(4)25-16-14-22-21(5)23(26)13-15-24(22,6)17-25/h9,11,20-23,26H,7-8,10,12-17H2,1-6H3/b19-11+/t20?,21-,22-,23-,24+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281885
PNG
(1-Dodecyl-piperidin-3-ol | CHEMBL17348)
Show SMILES CCCCCCCCCCCCN1CCCC(O)C1
Show InChI InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-13-17(19)16-18/h17,19H,2-16H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281886
PNG
(1-(1,5,9-Trimethyl-decyl)-piperidin-3-ol | CHEMBL1...)
Show SMILES CC(C)CCCC(C)CCCC(C)N1CCCC(O)C1
Show InChI InChI=1S/C18H37NO/c1-15(2)8-5-9-16(3)10-6-11-17(4)19-13-7-12-18(20)14-19/h15-18,20H,5-14H2,1-4H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281891
PNG
(1-Dodecyl-piperidin-4-ol | CHEMBL17729)
Show SMILES CCCCCCCCCCCCN1CCC(O)CC1
Show InChI InChI=1S/C17H35NO/c1-2-3-4-5-6-7-8-9-10-11-14-18-15-12-17(19)13-16-18/h17,19H,2-16H2,1H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281887
PNG
(1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CCC(O)CC1
Show InChI InChI=1S/C18H33NO/c1-15(2)7-5-8-16(3)9-6-10-17(4)19-13-11-18(20)12-14-19/h7,9,17-18,20H,5-6,8,10-14H2,1-4H3/b16-9+
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281890
PNG
(1-[4-(2-Hydroxy-1-methyl-ethyl)-piperidin-1-yl]-tr...)
Show SMILES CCCCCCCCCCCCC(=O)N1CCC(CC1)C(C)CO
Show InChI InChI=1S/C21H41NO2/c1-3-4-5-6-7-8-9-10-11-12-13-21(24)22-16-14-20(15-17-22)19(2)18-23/h19-20,23H,3-18H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281892
PNG
(1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidine...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CCCCC1
Show InChI InChI=1S/C18H33N/c1-16(2)10-8-11-17(3)12-9-13-18(4)19-14-6-5-7-15-19/h10,12,18H,5-9,11,13-15H2,1-4H3/b17-12+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281896
PNG
(1-((E)-1,5,9-Trimethyl-deca-4,8-dienyl)-piperidin-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)N1CCCC(O)C1
Show InChI InChI=1S/C18H33NO/c1-15(2)8-5-9-16(3)10-6-11-17(4)19-13-7-12-18(20)14-19/h8,10,17-18,20H,5-7,9,11-14H2,1-4H3/b16-10+
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n/an/a 4.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50281894
PNG
(2-(1-Benzyl-piperidin-4-yl)-propan-1-ol | CHEMBL28...)
Show SMILES CC(CO)C1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C15H23NO/c1-13(12-17)15-7-9-16(10-8-15)11-14-5-3-2-4-6-14/h2-6,13,15,17H,7-12H2,1H3
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n/an/a 5.70E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


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


Bioorg Med Chem Lett 3: 1175-1178 (1993)


Article DOI: 10.1016/S0960-894X(00)80309-1
BindingDB Entry DOI: 10.7270/Q2BK1C83
More data for this
Ligand-Target Pair