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PubMed code 3989819

Compile data set for download or QSAR
Found 13 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50011036
PNG
((S)-((1S,7S,8S,8aR)-8-(2-((2R,4R)-4-hydroxy-6-oxo-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12 |r,c:12,t:10|
Show InChI InChI=1S/C23H34O5/c1-4-14(2)23(26)28-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-18-12-17(24)13-21(25)27-18/h6,8-9,14-15,17-20,22,24H,4-5,7,10-13H2,1-3H3/t14-,15-,17+,18+,19-,20-,22-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026334
PNG
(3-Hydroxy-3-pentadecyl-pentanedioic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C20H38O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25,16-18(21)22)17-19(23)24/h25H,2-17H2,1H3,(H,21,22)(H,23,24)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026339
PNG
(3-Hydroxy-3-tridecyl-pentanedioic acid | CHEMBL155...)
Show SMILES CCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C18H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18(23,14-16(19)20)15-17(21)22/h23H,2-15H2,1H3,(H,19,20)(H,21,22)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026344
PNG
(3-Decyl-3-hydroxy-pentanedioic acid | CHEMBL154728)
Show SMILES CCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C15H28O5/c1-2-3-4-5-6-7-8-9-10-15(20,11-13(16)17)12-14(18)19/h20H,2-12H2,1H3,(H,16,17)(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026340
PNG
(3-Heptadecyl-3-hydroxy-pentanedioic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C22H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27,18-20(23)24)19-21(25)26/h27H,2-19H2,1H3,(H,23,24)(H,25,26)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026337
PNG
(3-Hexadecyl-3-hydroxy-pentanedioic acid | CHEMBL15...)
Show SMILES CCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C21H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(26,17-19(22)23)18-20(24)25/h26H,2-18H2,1H3,(H,22,23)(H,24,25)
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n/an/a 1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026343
PNG
(3-Hydroxy-3-tetradecyl-pentanedioic acid | CHEMBL1...)
Show SMILES CCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C19H36O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(24,15-17(20)21)16-18(22)23/h24H,2-16H2,1H3,(H,20,21)(H,22,23)
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n/an/a 1.30E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026342
PNG
(4-Hydroxy-4-pentadecyl-dihydro-pyran-2,6-dione | C...)
Show SMILES CCCCCCCCCCCCCCCC1(O)CC(=O)OC(=O)C1
Show InChI InChI=1S/C20H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(23)16-18(21)24-19(22)17-20/h23H,2-17H2,1H3
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n/an/a 2.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026338
PNG
(3-Hydroxy-3-nonadecyl-pentanedioic acid | CHEMBL15...)
Show SMILES CCCCCCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(O)=O
Show InChI InChI=1S/C24H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29,20-22(25)26)21-23(27)28/h29H,2-21H2,1H3,(H,25,26)(H,27,28)
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n/an/a 3.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026345
PNG
(4-Hydroxy-4-pentadecyl-tetrahydro-pyran-2-one | CH...)
Show SMILES CCCCCCCCCCCCCCCC1(O)CCOC(=O)C1
Show InChI InChI=1S/C20H38O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)16-17-23-19(21)18-20/h22H,2-18H2,1H3
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n/an/a 7.50E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026341
PNG
(3-Hydroxy-3-pentadecyl-pentanedioic acid monoethyl...)
Show SMILES CCCCCCCCCCCCCCCC(O)(CC(O)=O)CC(=O)OCC
Show InChI InChI=1S/C22H42O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26,18-20(23)24)19-21(25)27-4-2/h26H,3-19H2,1-2H3,(H,23,24)
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n/an/a 9.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026335
PNG
(4-Pentadecyl-tetrahydro-pyran-2,4-diol | CHEMBL154...)
Show SMILES CCCCCCCCCCCCCCCC1(O)CCOC(O)C1
Show InChI InChI=1S/C20H40O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(22)16-17-23-19(21)18-20/h19,21-22H,2-18H2,1H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50026336
PNG
(3-Hydroxy-3-pentadecyl-pentanedioic acid diethyl e...)
Show SMILES CCCCCCCCCCCCCCCC(O)(CC(=O)OCC)CC(=O)OCC
Show InChI InChI=1S/C24H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24(27,20-22(25)28-5-2)21-23(26)29-6-3/h27H,4-21H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase from rat liver


J Med Chem 28: 597-601 (1985)


BindingDB Entry DOI: 10.7270/Q2QV3KHN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%