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PubMed code 8426367

Compile data set for download or QSAR
Found 10 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 14-alpha demethylase


(Rattus norvegicus)
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsome cytochrome P450DM


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50046561
PNG
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA Reductase enzyme in chinese hamster ovary cells


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA Reductase enzyme in chinese hamster ovary cells


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA Reductase enzyme in chinese hamster ovary cells


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsome cytochrome P450DM


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsome cytochrome P450DM


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)
BDBM50046561
PNG
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 2.70E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsome cytochrome P450DM


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
Lanosterol 14-alpha demethylase


(Rattus norvegicus)
BDBM50046561
PNG
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a 9.10E+3n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition rat liver microsome cytochrome P450DM


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50046561
PNG
(1-[17-(1,5-Dimethyl-hexyl)-3-hydroxy-4,4,10,13-tet...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)=O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H52O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-21,23-24,26-27,33H,9-11,13-19H2,1-8H3/t21-,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA Reductase enzyme in AR45 cells


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Homo sapiens (Human))
BDBM50046560
PNG
(17-(1,5-Dimethyl-hexyl)-14-(1-hydroxy-ethyl)-4,4,1...)
Show SMILES CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C(C)O)C3=CCC4C(C)(C)[C@@H](O)CC[C@]4(C)C3CC[C@]12C |t:15|
Show InChI InChI=1S/C31H54O2/c1-20(2)10-9-11-21(3)23-15-19-31(22(4)32)25-12-13-26-28(5,6)27(33)16-17-29(26,7)24(25)14-18-30(23,31)8/h12,20-24,26-27,32-33H,9-11,13-19H2,1-8H3/t21-,22?,23-,24?,26?,27+,29-,30-,31-/m1/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Inhibition of HMG-coA Reductase enzyme in AR45 cells


J Med Chem 36: 410-6 (1993)


BindingDB Entry DOI: 10.7270/Q2S181K5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%