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PubMed code 8691425

Compile data set for download or QSAR
Found 23 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
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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051371
PNG
(1,1,4a-Trimethyl-5-(4,8,12-trimethyl-trideca-3,7,1...)
Show SMILES CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC1=CCC[C@H]2C(C)(C)[C@@H](O)CC[C@]12C
Show InChI InChI=1S/C29H48O/c1-22(2)12-8-13-23(3)14-9-15-24(4)16-10-17-25-18-11-19-26-28(5,6)27(30)20-21-29(25,26)7/h12,14,16,18,26-27,30H,8-11,13,15,17,19-21H2,1-7H3/b23-14+,24-16+/t26-,27-,29+/m0/s1
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n/an/a 600n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051372
PNG
((6R,8aR)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC=C2C(C)(C)[C@H](O)CC[C@@]2(C)C1
Show InChI InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24+/m1/s1
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n/an/a 600n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
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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n/an/a 600n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051366
PNG
((E)-1-((6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-3,5,6,7...)
Show SMILES CC(C)=CCC\C(C)=C\CCC(=O)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H39NO2/c1-18(2)9-7-10-19(3)11-8-12-22(27)25-16-14-20-23(4,5)21(26)13-15-24(20,6)17-25/h9,11,14,21,26H,7-8,10,12-13,15-17H2,1-6H3/b19-11+/t21-,24+/m0/s1
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n/an/a 680n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051380
PNG
((4aS,6S,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC[C@@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H43NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,21-22,26H,7-9,12-18H2,1-6H3/b20-11+/t21-,22+,24-/m1/s1
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n/an/a 700n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051376
PNG
((4aR,6S,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H43NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,21-22,26H,7-9,12-18H2,1-6H3/b20-11+/t21-,22-,24+/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051368
PNG
((6S,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051373
PNG
((6S,8aS)-2-Dodecyl-5,5,8a-trimethyl-1,2,3,5,6,7,8,...)
Show SMILES CCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H45NO/c1-5-6-7-8-9-10-11-12-13-14-18-25-19-16-21-23(2,3)22(26)15-17-24(21,4)20-25/h16,22,26H,5-15,17-20H2,1-4H3/t22-,24+/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051372
PNG
((6R,8aR)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC=C2C(C)(C)[C@H](O)CC[C@@]2(C)C1
Show InChI InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24+/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051379
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-tetradecyl-1,2,3,5,6,7...)
Show SMILES CCCCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C26H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-27-21-18-23-25(2,3)24(28)17-19-26(23,4)22-27/h18,24,28H,5-17,19-22H2,1-4H3/t24-,26+/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051370
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-((Z)-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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n/an/a 6.80E+3n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051382
PNG
((6S,8aS)-2-Dodecyl-8a-methyl-1,2,3,5,6,7,8,8a-octa...)
Show SMILES CCCCCCCCCCCCN1CC=C2C[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C22H41NO/c1-3-4-5-6-7-8-9-10-11-12-16-23-17-14-20-18-21(24)13-15-22(20,2)19-23/h14,21,24H,3-13,15-19H2,1-2H3/t21-,22+/m0/s1
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n/an/a 1.64E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051367
PNG
((6S,8aS)-2-(1,5-Dimethyl-hex-4-enyl)-5,5,8a-trimet...)
Show SMILES CC(CCC=C(C)C)N1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C20H35NO/c1-15(2)8-7-9-16(3)21-13-11-17-19(4,5)18(22)10-12-20(17,6)14-21/h8,11,16,18,22H,7,9-10,12-14H2,1-6H3/t16?,18-,20+/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051381
PNG
((6R,8aS)-2-((E)-5,9-Dimethyl-deca-4,8-dienyl)-5,5,...)
Show SMILES CC(C)=CCC\C(C)=C\CCCN1CC=C2C(C)(C)[C@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C24H41NO/c1-19(2)10-9-12-20(3)11-7-8-16-25-17-14-21-23(4,5)22(26)13-15-24(21,6)18-25/h10-11,14,22,26H,7-9,12-13,15-18H2,1-6H3/b20-11+/t22-,24-/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051378
PNG
((6S,8aS)-2-Benzyl-5,5,8a-trimethyl-1,2,3,5,6,7,8,8...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CN(Cc3ccccc3)CC=C12
Show InChI InChI=1S/C19H27NO/c1-18(2)16-10-12-20(13-15-7-5-4-6-8-15)14-19(16,3)11-9-17(18)21/h4-8,10,17,21H,9,11-14H2,1-3H3/t17-,19+/m0/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50003030
PNG
((2S,4aS,8aR)-1,1,4a-Trimethyl-decahydro-naphthalen...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CCCC[C@@H]12
Show InChI InChI=1S/C13H24O/c1-12(2)10-6-4-5-8-13(10,3)9-7-11(12)14/h10-11,14H,4-9H2,1-3H3/t10-,11-,13-/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051377
PNG
((4aR,8aS)-2-Dodecyl-5,5-dimethyl-decahydro-isoquin...)
Show SMILES CCCCCCCCCCCCN1CC[C@@H]2[C@H](CCCC2(C)C)C1
Show InChI InChI=1S/C23H45N/c1-4-5-6-7-8-9-10-11-12-13-18-24-19-16-22-21(20-24)15-14-17-23(22,2)3/h21-22H,4-20H2,1-3H3/t21-,22-/m1/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051365
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-(3-phenyl-propyl)-1,2,...)
Show SMILES CC1(C)[C@@H](O)CC[C@]2(C)CN(CCCc3ccccc3)CC=C12
Show InChI InChI=1S/C21H31NO/c1-20(2)18-12-15-22(16-21(18,3)13-11-19(20)23)14-7-10-17-8-5-4-6-9-17/h4-6,8-9,12,19,23H,7,10-11,13-16H2,1-3H3/t19-,21+/m0/s1
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n/an/a>2.50E+4n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051374
PNG
((6S,8aS)-5,5,8a-Trimethyl-1,2,3,5,6,7,8,8a-octahyd...)
Show SMILES C[C@]12CC[C@H](O)C(C)(C)C1=CCNC2
Show InChI InChI=1S/C12H21NO/c1-11(2)9-5-7-13-8-12(9,3)6-4-10(11)14/h5,10,13-14H,4,6-8H2,1-3H3/t10-,12+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
Lanosterol synthase


(Rattus norvegicus)
BDBM50051369
PNG
((6S,8aS)-5,5,8a-Trimethyl-2-octadecyl-1,2,3,5,6,7,...)
Show SMILES CCCCCCCCCCCCCCCCCCN1CC=C2C(C)(C)[C@@H](O)CC[C@]2(C)C1
Show InChI InChI=1S/C30H57NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-31-25-22-27-29(2,3)28(32)21-23-30(27,4)26-31/h22,28,32H,5-21,23-26H2,1-4H3/t28-,30+/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Laboratoires Fournier SCA

Curated by ChEMBL


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


J Med Chem 39: 2302-12 (1996)


Article DOI: 10.1021/jm9504621
BindingDB Entry DOI: 10.7270/Q28G8JTB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%