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Compile Data Set for Download or QSAR

Found 1382 hits Enz. Inhib. hit(s) with Target = 'HMG-CoA reductase'   
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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22146
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(5-phenyl-1,2,...)
Show SMILES CC(C)c1nc(Nc2nsc(n2)-c2ccccc2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C28H28FN5O4S/c1-16(2)24-22(13-12-20(35)14-21(36)15-23(37)38)25(17-8-10-19(29)11-9-17)31-27(30-24)33-28-32-26(39-34-28)18-6-4-3-5-7-18/h3-13,16,20-21,35-36H,14-15H2,1-2H3,(H,37,38)(H,30,31,33,34)/b13-12+/t20-,21-/m1/s1
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n/an/a 6.90n/a 7.70n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20688
PNG
((3R,5R)-7-[(1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C23H36O7/c1-4-13(2)23(29)30-20-11-17(25)9-15-6-5-14(3)19(22(15)20)8-7-16(24)10-18(26)12-21(27)28/h5-6,9,13-14,16-20,22,24-26H,4,7-8,10-12H2,1-3H3,(H,27,28)/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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n/an/a 31.6n/a 29n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22148
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1,2-oxa...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccon1
Show InChI InChI=1S/C24H27FN4O5/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(3)20-10-11-34-28-20/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33)/b9-8+/t17-,18-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22149
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1,2-oxazol-...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccon1)S(C)(=O)=O
Show InChI InChI=1S/C24H27FN4O7S/c1-14(2)22-19(9-8-17(30)12-18(31)13-21(32)33)23(15-4-6-16(25)7-5-15)27-24(26-22)29(37(3,34)35)20-10-11-36-28-20/h4-11,14,17-18,30-31H,12-13H2,1-3H3,(H,32,33)/b9-8+/t17-,18-/m1/s1
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n/an/a 33n/a 5.5n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22150
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-p...)
Show SMILES CC(C)c1nc(Nc2ccnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C24H28FN5O4/c1-14(2)22-19(9-8-17(31)12-18(32)13-21(33)34)23(15-4-6-16(25)7-5-15)29-24(28-22)27-20-10-11-26-30(20)3/h4-11,14,17-18,31-32H,12-13H2,1-3H3,(H,33,34)(H,27,28,29)/b9-8+/t17-,18-/m1/s1
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n/an/a 2.40n/a 1.30n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22151
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccnn1C
Show InChI InChI=1S/C25H30FN5O4/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)29-25(28-23)30(3)21-11-12-27-31(21)4/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22152
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccnn1C)S(C)(=O)=O
Show InChI InChI=1S/C25H30FN5O6S/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)29-25(28-23)31(38(4,36)37)21-11-12-27-30(21)3/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22153
PNG
((3R,5S,6E)-7-{2-[(3-tert-butyl-1-methyl-1H-pyrazol...)
Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(C)(C)C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C28H36FN5O4/c1-16(2)25-21(12-11-19(35)13-20(36)14-24(37)38)26(17-7-9-18(29)10-8-17)32-27(31-25)30-23-15-22(28(3,4)5)33-34(23)6/h7-12,15-16,19-20,35-36H,13-14H2,1-6H3,(H,37,38)(H,30,31,32)/b12-11+/t19-,20-/m1/s1
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n/an/a 12.4n/a 1.90n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22154
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-p...)
Show SMILES CC(C)c1nc(Nc2ccn(C)n2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C24H28FN5O4/c1-14(2)22-19(9-8-17(31)12-18(32)13-21(33)34)23(15-4-6-16(25)7-5-15)28-24(27-22)26-20-10-11-30(3)29-20/h4-11,14,17-18,31-32H,12-13H2,1-3H3,(H,33,34)(H,26,27,28,29)/b9-8+/t17-,18-/m1/s1
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n/an/a 1.80n/a 3.70n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22155
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ccn(C)n1
Show InChI InChI=1S/C25H30FN5O4/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)28-25(27-23)31(4)21-11-12-30(3)29-21/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22156
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ccn(C)n1)S(C)(=O)=O
Show InChI InChI=1S/C25H30FN5O6S/c1-15(2)23-20(10-9-18(32)13-19(33)14-22(34)35)24(16-5-7-17(26)8-6-16)28-25(27-23)31(38(4,36)37)21-11-12-30(3)29-21/h5-12,15,18-19,32-33H,13-14H2,1-4H3,(H,34,35)/b10-9+/t18-,19-/m1/s1
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n/an/a 3.70n/a 7.70n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22157
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-methyl-1H-1...)
Show SMILES CC(C)c1nc(Nc2nnnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C22H26FN7O4/c1-12(2)19-17(9-8-15(31)10-16(32)11-18(33)34)20(13-4-6-14(23)7-5-13)25-21(24-19)26-22-27-28-29-30(22)3/h4-9,12,15-16,31-32H,10-11H2,1-3H3,(H,33,34)(H,24,25,26,27,29)/b9-8+/t15-,16-/m1/s1
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n/an/a 0.900n/a 1.5n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22158
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[methyl(1-methy...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1nnnn1C
Show InChI InChI=1S/C23H28FN7O4/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)30(3)23-27-28-29-31(23)4/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t16-,17-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22159
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-methyl-1H...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1nnnn1C)S(C)(=O)=O
Show InChI InChI=1S/C23H28FN7O6S/c1-13(2)20-18(10-9-16(32)11-17(33)12-19(34)35)21(14-5-7-15(24)8-6-14)26-22(25-20)31(38(4,36)37)23-27-28-29-30(23)3/h5-10,13,16-17,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t16-,17-/m1/s1
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n/an/a 4.20n/a 1n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22160
PNG
(pyrazole compound, 14a | sodium 5-({5-[(1E,3S,5R)-...)
Show SMILES CC(C)c1nc(Nc2cc(nn2C)C(O)=O)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C25H28FN5O6/c1-13(2)22-18(9-8-16(32)10-17(33)11-21(34)35)23(14-4-6-15(26)7-5-14)29-25(28-22)27-20-12-19(24(36)37)30-31(20)3/h4-9,12-13,16-17,32-33H,10-11H2,1-3H3,(H,34,35)(H,36,37)(H,27,28,29)/b9-8+/t16-,17-/m1/s1
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n/an/a 0.900n/a 13.7n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22161
PNG
(sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[(1-meth...)
Show SMILES CC(C)c1nc(Nc2ncnn2C)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C23H27FN6O4/c1-13(2)20-18(9-8-16(31)10-17(32)11-19(33)34)21(14-4-6-15(24)7-5-14)28-22(27-20)29-23-25-12-26-30(23)3/h4-9,12-13,16-17,31-32H,10-11H2,1-3H3,(H,33,34)(H,25,26,27,28,29)/b9-8+/t16-,17-/m1/s1
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n/an/a 3n/a 3.70n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22162
PNG
(sodium (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-[N-(1-me...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(c1ncnn1C)S(C)(=O)=O
Show InChI InChI=1S/C24H29FN6O6S/c1-14(2)21-19(10-9-17(32)11-18(33)12-20(34)35)22(15-5-7-16(25)8-6-15)29-23(28-21)31(38(4,36)37)24-26-13-27-30(24)3/h5-10,13-14,17-18,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t17-,18-/m1/s1
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n/an/a 2.90n/a 7.5n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22163
PNG
(BMS-644950 | sodium (3R,5S,6E)-7-[4-(4-fluoropheny...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)c1ncnn1C
Show InChI InChI=1S/C24H29FN6O4/c1-14(2)21-19(10-9-17(32)11-18(33)12-20(34)35)22(15-5-7-16(25)8-6-15)29-23(28-21)30(3)24-26-13-27-31(24)4/h5-10,13-14,17-18,32-33H,11-12H2,1-4H3,(H,34,35)/b10-9+/t17-,18-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22164
PNG
((3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylca...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1
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n/an/a 6.20n/a 2.5n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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n/an/a 3.10n/a 0.600n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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n/an/a 4.30n/a 6.20n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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n/an/a 9.80n/a 2.30n/an/a7.037



Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM22147
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(1,2-oxazol-3-y...)
Show SMILES CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O
Show InChI InChI=1S/C23H25FN4O5/c1-13(2)21-18(8-7-16(29)11-17(30)12-20(31)32)22(14-3-5-15(24)6-4-14)27-23(26-21)25-19-9-10-33-28-19/h3-10,13,16-17,29-30H,11-12H2,1-2H3,(H,31,32)(H,25,26,27,28)/b8-7+/t16-,17-/m1/s1
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Bristol-Myers Squibb Company



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 2722-33 (2008)


Article DOI: 10.1021/jm800001n
BindingDB Entry DOI: 10.7270/Q2FT8JB2
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20691
PNG
(pyrazole-based inhibitor, 34 | sodium (3R,5R)-7-[1...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H31F2N3O5/c1-16(2)25-23(12-11-21(33)13-22(34)14-24(35)36)32(20-9-7-19(29)8-10-20)31-26(25)27(37)30-15-17-3-5-18(28)6-4-17/h3-10,16,21-22,33-34H,11-15H2,1-2H3,(H,30,37)(H,35,36)/p-1/t21-,22-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20692
PNG
(PF-3052334 | pyrazole-based inhibitor, 35 | sodium...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H34FN3O5/c1-17(2)26-24(13-12-22(33)14-23(34)15-25(35)36)32(21-10-8-20(29)9-11-21)31-27(26)28(37)30-16-19-6-4-18(3)5-7-19/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/p-1/t22-,23-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20693
PNG
(pyrazole-based inhibitor, 36 | sodium (3R,5R)-7-[1...)
Show SMILES COCc1cccc(CNC(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C29H36FN3O6/c1-18(2)27-25(12-11-23(34)14-24(35)15-26(36)37)33(22-9-7-21(30)8-10-22)32-28(27)29(38)31-16-19-5-4-6-20(13-19)17-39-3/h4-10,13,18,23-24,34-35H,11-12,14-17H2,1-3H3,(H,31,38)(H,36,37)/p-1/t23-,24-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20694
PNG
(pyrazole-based inhibitor, 37 | sodium (3R,5R)-7-(3...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1cccc(c1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C28H31FN4O5/c1-17(2)26-24(11-10-22(34)13-23(35)14-25(36)37)33(21-8-6-20(29)7-9-21)32-27(26)28(38)31-16-19-5-3-4-18(12-19)15-30/h3-9,12,17,22-23,34-35H,10-11,13-14,16H2,1-2H3,(H,31,38)(H,36,37)/p-1/t22-,23-/m1/s1
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Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20695
PNG
(pyrazole-based inhibitor, 38 | sodium (3R,5R)-7-[3...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)NCc1ccc(cc1)C(=O)N(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C30H37FN4O6/c1-18(2)27-25(14-13-23(36)15-24(37)16-26(38)39)35(22-11-9-21(31)10-12-22)33-28(27)29(40)32-17-19-5-7-20(8-6-19)30(41)34(3)4/h5-12,18,23-24,36-37H,13-17H2,1-4H3,(H,32,40)(H,38,39)/p-1/t23-,24-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20696
PNG
(Tertiary Amide Analog, 39 | sodium (3R,5R)-7-{3-[b...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H34FN3O5/c1-18(2)26-24(14-13-22(33)15-23(34)16-25(35)36)32(21-11-9-20(29)10-12-21)30-27(26)28(37)31(3)17-19-7-5-4-6-8-19/h4-12,18,22-23,33-34H,13-17H2,1-3H3,(H,35,36)/p-1/t22-,23-/m1/s1
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Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20697
PNG
(Tertiary Amide Analog, 40 | sodium (3R,5R)-7-{3-[b...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-4-32(18-20-8-6-5-7-9-20)29(38)28-27(19(2)3)25(15-14-23(34)16-24(35)17-26(36)37)33(31-28)22-12-10-21(30)11-13-22/h5-13,19,23-24,34-35H,4,14-18H2,1-3H3,(H,36,37)/p-1/t23-,24-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20698
PNG
(Tertiary Amide Analog, 41 | sodium (3R,5R)-7-{3-[b...)
Show SMILES CC(C)N(Cc1ccccc1)C(=O)c1nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C)-c1ccc(F)cc1
Show InChI InChI=1S/C30H38FN3O5/c1-19(2)28-26(15-14-24(35)16-25(36)17-27(37)38)34(23-12-10-22(31)11-13-23)32-29(28)30(39)33(20(3)4)18-21-8-6-5-7-9-21/h5-13,19-20,24-25,35-36H,14-18H2,1-4H3,(H,37,38)/p-1/t24-,25-/m1/s1
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Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20699
PNG
(Tertiary Amide Analog, 32 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1C)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(14-13-23(34)15-24(35)16-26(36)37)33(22-11-9-21(30)10-12-22)31-28(27)29(38)32(4)17-20-8-6-5-7-19(20)3/h5-12,18,23-24,34-35H,13-17H2,1-4H3,(H,36,37)/p-1/t23-,24-/m1/s1
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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20700
PNG
(Tertiary Amide Analog, 42 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(13-12-23(34)15-24(35)16-26(36)37)33(22-10-8-21(30)9-11-22)31-28(27)29(38)32(4)17-20-7-5-6-19(3)14-20/h5-11,14,18,23-24,34-35H,12-13,15-17H2,1-4H3,(H,36,37)/p-1/t23-,24-/m1/s1
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n/an/a 6.10n/a 0.600n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20701
PNG
(Tertiary Amide Analog, 43 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(14-13-23(34)15-24(35)16-26(36)37)33(22-11-9-21(30)10-12-22)31-28(27)29(38)32(4)17-20-7-5-19(3)6-8-20/h5-12,18,23-24,34-35H,13-17H2,1-4H3,(H,36,37)/p-1/t23-,24-/m1/s1
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n/an/a 9.90n/a 1.80n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20702
PNG
(Tertiary Amide Analog, 44 | sodium (3R,5R)-7-[1-(4...)
Show SMILES COc1ccc(CN(C)C(=O)c2nn(c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c2C(C)C)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C29H36FN3O6/c1-18(2)27-25(14-11-22(34)15-23(35)16-26(36)37)33(21-9-7-20(30)8-10-21)31-28(27)29(38)32(3)17-19-5-12-24(39-4)13-6-19/h5-10,12-13,18,22-23,34-35H,11,14-17H2,1-4H3,(H,36,37)/p-1/t22-,23-/m1/s1
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n/an/a 12n/a 0.300n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20703
PNG
(Tertiary Amide Analog, 45 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3O5/c1-17(2)26-24(13-12-21(34)14-22(35)15-25(36)37)33(20-10-8-19(29)9-11-20)31-27(26)28(38)32(3)16-18-6-4-5-7-23(18)30/h4-11,17,21-22,34-35H,12-16H2,1-3H3,(H,36,37)/p-1/t21-,22-/m1/s1
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n/an/a 4.80n/a 0.5n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20704
PNG
(Tertiary Amide Analog, 46 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3O5/c1-17(2)26-24(12-11-22(34)14-23(35)15-25(36)37)33(21-9-7-19(29)8-10-21)31-27(26)28(38)32(3)16-18-5-4-6-20(30)13-18/h4-10,13,17,22-23,34-35H,11-12,14-16H2,1-3H3,(H,36,37)/p-1/t22-,23-/m1/s1
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n/an/a 3.90n/a 0.200n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20705
PNG
(Tertiary Amide Analog, 47 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H33F2N3O5/c1-17(2)26-24(13-12-22(34)14-23(35)15-25(36)37)33(21-10-8-20(30)9-11-21)31-27(26)28(38)32(3)16-18-4-6-19(29)7-5-18/h4-11,17,22-23,34-35H,12-16H2,1-3H3,(H,36,37)/p-1/t22-,23-/m1/s1
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n/an/a 6.60n/a 0.5n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20706
PNG
(Tertiary Amide Analog, 48 | sodium (3R,5R)-7-(3-{[...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1F)-c1ccc(F)cc1
Show InChI InChI=1S/C28H32F3N3O5/c1-16(2)26-24(11-10-21(35)13-22(36)14-25(37)38)34(20-8-6-18(29)7-9-20)32-27(26)28(39)33(3)15-17-4-5-19(30)12-23(17)31/h4-9,12,16,21-22,35-36H,10-11,13-15H2,1-3H3,(H,37,38)/p-1/t21-,22-/m1/s1
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n/an/a 7n/a 2.10n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20707
PNG
(Tertiary Amide Analog, 49 | sodium (3R,5R)-7-(3-{[...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1
Show InChI InChI=1S/C28H32F3N3O5/c1-16(2)25-23(12-11-20(35)13-21(36)14-24(37)38)34(19-9-7-18(29)8-10-19)32-27(25)28(39)33(3)15-17-5-4-6-22(30)26(17)31/h4-10,16,20-21,35-36H,11-15H2,1-3H3,(H,37,38)/p-1/t20-,21-/m1/s1
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n/an/a 9n/a 0.600n/an/a7.237



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Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20708
PNG
(Tertiary Amide Analog, 50 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/p-1/t19-,23-,24-/m1/s1
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n/an/a 1.5n/a 0.300n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20709
PNG
(Tertiary Amide Analog, 51 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N(C)[C@@H](C)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H36FN3O5/c1-18(2)27-25(15-14-23(34)16-24(35)17-26(36)37)33(22-12-10-21(30)11-13-22)31-28(27)29(38)32(4)19(3)20-8-6-5-7-9-20/h5-13,18-19,23-24,34-35H,14-17H2,1-4H3,(H,36,37)/p-1/t19-,23+,24+/m0/s1
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n/an/a 45n/a 3.5n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20710
PNG
(Tertiary Amide Analog, 52 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC1c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C30H36FN3O5/c1-19(2)28-26(15-14-23(35)17-24(36)18-27(37)38)34(22-12-10-21(31)11-13-22)32-29(28)30(39)33-16-6-9-25(33)20-7-4-3-5-8-20/h3-5,7-8,10-13,19,23-25,35-36H,6,9,14-18H2,1-2H3,(H,37,38)/p-1/t23-,24-,25?/m1/s1
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n/an/a 7.30n/a 4n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20711
PNG
(Tertiary Amide Analog, 53 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCCC1c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O5/c1-20(2)29-27(16-15-24(36)18-25(37)19-28(38)39)35(23-13-11-22(32)12-14-23)33-30(29)31(40)34-17-7-6-10-26(34)21-8-4-3-5-9-21/h3-5,8-9,11-14,20,24-26,36-37H,6-7,10,15-19H2,1-2H3,(H,38,39)/p-1/t24-,25-,26?/m1/s1
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n/an/a 6.10n/a 1.10n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20712
PNG
(Tertiary Amide Analog, 54 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCCC(C1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O5/c1-20(2)29-27(15-14-25(36)17-26(37)18-28(38)39)35(24-12-10-23(32)11-13-24)33-30(29)31(40)34-16-6-9-22(19-34)21-7-4-3-5-8-21/h3-5,7-8,10-13,20,22,25-26,36-37H,6,9,14-19H2,1-2H3,(H,38,39)/p-1/t22?,25-,26-/m1/s1
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n/an/a 1.5n/a 0.400n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM20713
PNG
(Tertiary Amide Analog, 55 | sodium (3R,5R)-7-[1-(4...)
Show SMILES CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)n(nc1C(=O)N1CCC[C@@H](C1)c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C31H38FN3O5/c1-20(2)29-27(15-14-25(36)17-26(37)18-28(38)39)35(24-12-10-23(32)11-13-24)33-30(29)31(40)34-16-6-9-22(19-34)21-7-4-3-5-8-21/h3-5,7-8,10-13,20,22,25-26,36-37H,6,9,14-19H2,1-2H3,(H,38,39)/p-1/t22-,25+,26+/m0/s1
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n/an/a 2n/a 0.300n/an/a7.237



Pfizer



Assay Description
Enzyme Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme...


J Med Chem 51: 31-45 (2008)


Article DOI: 10.1021/jm070849r
BindingDB Entry DOI: 10.7270/Q2VD6WRD
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18372
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethan...)
Show SMILES CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O
Show InChI InChI=1S/C22H28FN3O6S/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30)/b10-9+/t16-,17-/m1/s1
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n/an/a 3.60n/an/an/an/a7.237



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18374
PNG
(CHEMBL394937 | Pyrrole-based compound, 30 | sodium...)
Show SMILES CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c(c1C(=O)Nc1ccccc1)-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C33H35FN2O5/c1-21(2)36-28(18-17-26(37)19-27(38)20-29(39)40)30(23-13-15-24(34)16-14-23)31(22-9-5-3-6-10-22)32(36)33(41)35-25-11-7-4-8-12-25/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/p-1/t26-,27-/m1/s1
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n/an/a 12n/an/an/an/a7.237



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18375
PNG
((3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-[(2,2-dimethylbutan...)
Show SMILES CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12
Show InChI InChI=1S/C25H40O6/c1-6-25(4,5)24(30)31-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-18(26)13-19(27)14-22(28)29/h7-8,11,15-16,18-21,23,26-27H,6,9-10,12-14H2,1-5H3,(H,28,29)/t15-,16-,18+,19+,20-,21-,23-/m0/s1
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n/an/a 18n/an/an/an/a7.237



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Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM18376
PNG
((3R,5S,6E)-7-[4-(4-fluorophenyl)-5-(methoxymethyl)...)
Show SMILES COCc1c(nc(C(C)C)c(\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)c1-c1ccc(F)cc1)C(C)C
Show InChI InChI=1S/C26H34FNO5/c1-15(2)25-21(11-10-19(29)12-20(30)13-23(31)32)24(17-6-8-18(27)9-7-17)22(14-33-5)26(28-25)16(3)4/h6-11,15-16,19-20,29-30H,12-14H2,1-5H3,(H,31,32)/b11-10+/t19-,20-/m1/s1
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PubMed
n/an/a 2.80n/an/an/an/a7.237



Pfizer



Assay Description
Assay for HMG-CoA reductase was based on the conversion of isotopically labeled HMG-CoA to mevalonic acid using rat liver microsomes as enzyme source...


Bioorg Med Chem 15: 5576-89 (2007)


Article DOI: 10.1016/j.bmc.2007.05.031
BindingDB Entry DOI: 10.7270/Q23J3B7G
More data for this
Ligand-Target Pair
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