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PubMed code 2909732

Compile data set for download or QSAR
Found 7 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))
BDBM50020287
PNG
(7-[2,6-Dimethyl-8-(2-methyl-butyryloxy)-1,2,4a,5,6...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(O)=O)C12 |c:13|
Show InChI InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,14-17,19-21,23,26H,5,8-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,19+,20-,21-,23?/m0/s1
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PubMed
n/an/a 1n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020291
PNG
(3-Hydroxy-5-oxo-7-phenyl-heptanoic acid | CHEMBL60...)
Show SMILES O[C@@H](CC(O)=O)CC(=O)CCc1ccccc1
Show InChI InChI=1S/C13H16O4/c14-11(8-12(15)9-13(16)17)7-6-10-4-2-1-3-5-10/h1-5,12,15H,6-9H2,(H,16,17)/t12-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020290
PNG
(7-[2,6-Dimethyl-8-(2-methyl-butyryloxy)-1,2,4a,5,6...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(O)=O)C12 |c:13|
Show InChI InChI=1S/C24H40O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,14-21,23,25-26H,5,8-13H2,1-4H3,(H,27,28)/t14-,15-,16-,17-,18?,19+,20-,21-,23?/m0/s1
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n/an/a 1.60n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020288
PNG
(3,5-Dihydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-bu...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(O)C[C@@H](O)CC(O)=O)C12 |c:12,t:10|
Show InChI InChI=1S/C23H36O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,17-20,22,24-25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,17?,18+,19-,20-,22?/m0/s1
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n/an/a 13n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020293
PNG
(3-Hydroxy-7-[6-hydroxy-2-methyl-8-(2-methyl-butyry...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(O)=O)C12 |c:12,t:10|
Show InChI InChI=1S/C23H34O6/c1-4-14(2)23(28)29-20-7-5-6-16-9-8-15(3)19(22(16)20)11-10-17(24)12-18(25)13-21(26)27/h6,8-9,14-15,18-20,22,25H,4-5,7,10-13H2,1-3H3,(H,26,27)/t14-,15-,18+,19-,20-,22?/m0/s1
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n/an/a 32n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020292
PNG
(3-Hydroxy-7-[2-(2-methyl-butyryloxymethyl)-phenyl]...)
Show SMILES CC[C@H](C)C(=O)OCc1ccccc1CCC(=O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C19H26O6/c1-3-13(2)19(24)25-12-15-7-5-4-6-14(15)8-9-16(20)10-17(21)11-18(22)23/h4-7,13,17,21H,3,8-12H2,1-2H3,(H,22,23)/t13-,17+/m0/s1
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n/an/a 3.20E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))
BDBM50020289
PNG
(3,5-Dihydroxy-7-phenyl-heptanoic acid | CHEMBL5941...)
Show SMILES OC(CCc1ccccc1)CC(O)CC(O)=O
Show InChI InChI=1S/C13H18O4/c14-11(8-12(15)9-13(16)17)7-6-10-4-2-1-3-5-10/h1-5,11-12,14-15H,6-9H2,(H,16,17)
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n/an/a 6.00E+5n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Ability of compound to inhibit the activity of 3-hydroxy-3-methylglutarylcoenzyme A(HMGR) reductase in rat liver microsomes


J Med Chem 32: 197-202 (1989)


BindingDB Entry DOI: 10.7270/Q24T6HB3
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%