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PubMed code 17764936

Compile data set for download or QSAR
Found 41 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))		BDBM18390
PNG
((3R,5S)-6-[(3-{[(2,3-difluorophenyl)methyl]carbamo...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(F)c1F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H28F3N3O6/c1-14(2)22-24(25(37)30-12-15-4-3-5-20(28)23(15)29)31-32(17-8-6-16(27)7-9-17)26(22)38-13-19(34)10-18(33)11-21(35)36/h3-9,14,18-19,33-34H,10-13H2,1-2H3,(H,30,37)(H,35,36)/t18-,19+/m1/s1
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n/an/a 2n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18427
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpip...)
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 |r|
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)/t22-,25+,26+/m0/s1
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n/an/a 2.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A 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 |r|
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 2.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18425
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(4-methylphenyl)...)
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 |r|
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)/t22-,23-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18388
PNG
((3R,5S)-6-{[3-(benzylcarbamoyl)-1-(4-fluorophenyl)...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H30FN3O6/c1-16(2)23-24(25(35)28-14-17-6-4-3-5-7-17)29-30(19-10-8-18(27)9-11-19)26(23)36-15-21(32)12-20(31)13-22(33)34/h3-11,16,20-21,31-32H,12-15H2,1-2H3,(H,28,35)(H,33,34)/t20-,21+/m1/s1
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n/an/a 3.80n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18426
PNG
((3R,5R)-7-[1-(4-fluorophenyl)-3-{[(3-fluorophenyl)...)
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 |r|
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)/t22-,23-/m1/s1
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n/an/a 4.10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18420
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3R)-3-phenylpi...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCC[C@@H](C1)c1ccccc1 |r|
Show InChI InChI=1S/C30H36FN3O6/c1-19(2)27-28(29(39)33-14-6-9-21(17-33)20-7-4-3-5-8-20)32-34(23-12-10-22(31)11-13-23)30(27)40-18-25(36)15-24(35)16-26(37)38/h3-5,7-8,10-13,19,21,24-25,35-36H,6,9,14-18H2,1-2H3,(H,37,38)/t21-,24+,25-/m0/s1
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n/an/a 4.80n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18394
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methylphenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(C)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-16(2)24-25(26(36)29-14-18-6-4-5-17(3)11-18)30-31(20-9-7-19(28)8-10-20)27(24)37-15-22(33)12-21(32)13-23(34)35/h4-11,16,21-22,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
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n/an/a 4.90n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18389
PNG
((3R,5S)-6-({3-[benzyl(methyl)carbamoyl]-1-(4-fluor...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-17(2)24-25(26(36)30(3)15-18-7-5-4-6-8-18)29-31(20-11-9-19(28)10-12-20)27(24)37-16-22(33)13-21(32)14-23(34)35/h4-12,17,21-22,32-33H,13-16H2,1-3H3,(H,34,35)/t21-,22+/m1/s1
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n/an/a 5.20n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18400
PNG
((3R,5S)-6-[(3-{[(3-chlorophenyl)methyl]carbamoyl}-...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29ClFN3O6/c1-15(2)23-24(25(36)29-13-16-4-3-5-17(27)10-16)30-31(19-8-6-18(28)7-9-19)26(23)37-14-21(33)11-20(32)12-22(34)35/h3-10,15,20-21,32-33H,11-14H2,1-2H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
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n/an/a 5.40n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18409
PNG
((3R,5S)-6-[(3-{[(3,4-difluorophenyl)methyl](methyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)c(F)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H30F3N3O6/c1-15(2)24-25(26(38)32(3)13-16-4-9-21(29)22(30)10-16)31-33(18-7-5-17(28)6-8-18)27(24)39-14-20(35)11-19(34)12-23(36)37/h4-10,15,19-20,34-35H,11-14H2,1-3H3,(H,36,37)/t19-,20+/m1/s1
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n/an/a 5.70n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18424
PNG
((3R,5R)-7-{3-[benzyl(methyl)carbamoyl]-1-(4-fluoro...)
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 |r|
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)/t22-,23-/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18417
PNG
((3R,5S)-6-({3-[(cyclohexylmethyl)(methyl)carbamoyl...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N(C)CC1CCCCC1 |r|
Show InChI InChI=1S/C27H38FN3O6/c1-17(2)24-25(26(36)30(3)15-18-7-5-4-6-8-18)29-31(20-11-9-19(28)10-12-20)27(24)37-16-22(33)13-21(32)14-23(34)35/h9-12,17-18,21-22,32-33H,4-8,13-16H2,1-3H3,(H,34,35)/t21-,22+/m1/s1
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n/an/a 6.20n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18399
PNG
((3R,5S)-6-[(3-{[(4-chlorophenyl)methyl]carbamoyl}-...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(Cl)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29ClFN3O6/c1-15(2)23-24(25(36)29-13-16-3-5-17(27)6-4-16)30-31(19-9-7-18(28)8-10-19)26(23)37-14-21(33)11-20(32)12-22(34)35/h3-10,15,20-21,32-33H,11-14H2,1-2H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
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n/an/a 6.70n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18405
PNG
((3R,5S)-6-[(3-{[(3-chlorophenyl)methyl](methyl)car...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(Cl)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H31ClFN3O6/c1-16(2)24-25(26(37)31(3)14-17-5-4-6-18(28)11-17)30-32(20-9-7-19(29)8-10-20)27(24)38-15-22(34)12-21(33)13-23(35)36/h4-11,16,21-22,33-34H,12-15H2,1-3H3,(H,35,36)/t21-,22+/m1/s1
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n/an/a 8.30n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18410
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(2-fluorophenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccccc1F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H31F2N3O6/c1-16(2)24-25(26(37)31(3)14-17-6-4-5-7-22(17)29)30-32(19-10-8-18(28)9-11-19)27(24)38-15-21(34)12-20(33)13-23(35)36/h4-11,16,20-21,33-34H,12-15H2,1-3H3,(H,35,36)/t20-,21+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18401
PNG
((3R,5S)-6-[(3-{[(2-chlorophenyl)methyl]carbamoyl}-...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1Cl)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C26H29ClFN3O6/c1-15(2)23-24(25(36)29-13-16-5-3-4-6-21(16)27)30-31(18-9-7-17(28)8-10-18)26(23)37-14-20(33)11-19(32)12-22(34)35/h3-10,15,19-20,32-33H,11-14H2,1-2H3,(H,29,36)(H,34,35)/t19-,20+/m1/s1
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n/an/a 9.5n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18419
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-4-(propan-2-yl)-3-(...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCc2ccccc2C1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H32FN3O6/c1-17(2)25-26(27(37)31-12-11-18-5-3-4-6-19(18)15-31)30-32(21-9-7-20(29)8-10-21)28(25)38-16-23(34)13-22(33)14-24(35)36/h3-10,17,22-23,33-34H,11-16H2,1-2H3,(H,35,36)/t22-,23+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18396
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(4-methoxypheny...)
Show SMILES COc1ccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C27H32FN3O7/c1-16(2)24-25(26(36)29-14-17-4-10-22(37-3)11-5-17)30-31(19-8-6-18(28)7-9-19)27(24)38-15-21(33)12-20(32)13-23(34)35/h4-11,16,20-21,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t20-,21+/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18391
PNG
((3R,5S)-6-[(3-{[(2,3-difluorophenyl)methyl](methyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H30F3N3O6/c1-15(2)23-25(26(38)32(3)13-16-5-4-6-21(29)24(16)30)31-33(18-9-7-17(28)8-10-18)27(23)39-14-20(35)11-19(34)12-22(36)37/h4-10,15,19-20,34-35H,11-14H2,1-3H3,(H,36,37)/t19-,20+/m1/s1
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n/an/a 14n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18404
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-fluorophenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(F)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H31F2N3O6/c1-16(2)24-25(26(37)31(3)14-17-5-4-6-19(29)11-17)30-32(20-9-7-18(28)8-10-20)27(24)38-15-22(34)12-21(33)13-23(35)36/h4-11,16,21-22,33-34H,12-15H2,1-3H3,(H,35,36)/t21-,22+/m1/s1
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n/an/a 14n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18418
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-[(2-phenylpyrroli...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)N1CCCC1c1ccccc1 |r|
Show InChI InChI=1S/C29H34FN3O6/c1-18(2)26-27(28(38)32-14-6-9-24(32)19-7-4-3-5-8-19)31-33(21-12-10-20(30)11-13-21)29(26)39-17-23(35)15-22(34)16-25(36)37/h3-5,7-8,10-13,18,22-24,34-35H,6,9,14-17H2,1-2H3,(H,36,37)/t22-,23+,24?/m1/s1
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n/an/a 14n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18414
PNG
((3R,5S)-6-({3-[benzyl(ethyl)carbamoyl]-1-(4-fluoro...)
Show SMILES CCN(Cc1ccccc1)C(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O6/c1-4-31(16-19-8-6-5-7-9-19)27(37)26-25(18(2)3)28(32(30-26)21-12-10-20(29)11-13-21)38-17-23(34)14-22(33)15-24(35)36/h5-13,18,22-23,33-34H,4,14-17H2,1-3H3,(H,35,36)/t22-,23+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18413
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-[(2-phenylethyl)c...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCCc1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-17(2)24-25(26(36)29-13-12-18-6-4-3-5-7-18)30-31(20-10-8-19(28)9-11-20)27(24)37-16-22(33)14-21(32)15-23(34)35/h3-11,17,21-22,32-33H,12-16H2,1-2H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
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n/an/a 15n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18393
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(4-methylphenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccc(C)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-16(2)24-25(26(36)29-14-18-6-4-17(3)5-7-18)30-31(20-10-8-19(28)9-11-20)27(24)37-15-22(33)12-21(32)13-23(34)35/h4-11,16,21-22,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
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n/an/a 15n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18402
PNG
((3R,5S)-6-[(3-{[(3-ethoxyphenyl)methyl](methyl)car...)
Show SMILES CCOc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C29H36FN3O7/c1-5-39-24-8-6-7-19(13-24)16-32(4)28(38)27-26(18(2)3)29(33(31-27)21-11-9-20(30)10-12-21)40-17-23(35)14-22(34)15-25(36)37/h6-13,18,22-23,34-35H,5,14-17H2,1-4H3,(H,36,37)/t22-,23+/m1/s1
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n/an/a 16n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18397
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methoxypheny...)
Show SMILES COc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C27H32FN3O7/c1-16(2)24-25(26(36)29-14-17-5-4-6-22(11-17)37-3)30-31(19-9-7-18(28)8-10-19)27(24)38-15-21(33)12-20(32)13-23(34)35/h4-11,16,20-21,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
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n/an/a 16n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18395
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(2-methylphenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccc1C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O6/c1-16(2)24-25(26(36)29-14-18-7-5-4-6-17(18)3)30-31(20-10-8-19(28)9-11-20)27(24)37-15-22(33)12-21(32)13-23(34)35/h4-11,16,21-22,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t21-,22+/m1/s1
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n/an/a 17n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18415
PNG
((3R,5S)-6-({3-[(cyclohexylmethyl)carbamoyl]-1-(4-f...)
Show SMILES CC(C)c1c(nn(c1OC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccc(F)cc1)C(=O)NCC1CCCCC1 |r|
Show InChI InChI=1S/C26H36FN3O6/c1-16(2)23-24(25(35)28-14-17-6-4-3-5-7-17)29-30(19-10-8-18(27)9-11-19)26(23)36-15-21(32)12-20(31)13-22(33)34/h8-11,16-17,20-21,31-32H,3-7,12-15H2,1-2H3,(H,28,35)(H,33,34)/t20-,21+/m1/s1
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n/an/a 17n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18411
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(4-fluorophenyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(F)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H31F2N3O6/c1-16(2)24-25(26(37)31(3)14-17-4-6-18(28)7-5-17)30-32(20-10-8-19(29)9-11-20)27(24)38-15-22(34)12-21(33)13-23(35)36/h4-11,16,21-22,33-34H,12-15H2,1-3H3,(H,35,36)/t21-,22+/m1/s1
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n/an/a 18n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18412
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{methyl[(1R)-1-ph...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)[C@H](C)c1ccccc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O6/c1-17(2)25-26(27(37)31(4)18(3)19-8-6-5-7-9-19)30-32(21-12-10-20(29)11-13-21)28(25)38-16-23(34)14-22(33)15-24(35)36/h5-13,17-18,22-23,33-34H,14-16H2,1-4H3,(H,35,36)/t18-,22-,23+/m1/s1
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n/an/a 21n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18408
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(3-methoxypheny...)
Show SMILES COc1cccc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C28H34FN3O7/c1-17(2)25-26(27(37)31(3)15-18-6-5-7-23(12-18)38-4)30-32(20-10-8-19(29)9-11-20)28(25)39-16-22(34)13-21(33)14-24(35)36/h5-12,17,21-22,33-34H,13-16H2,1-4H3,(H,35,36)/t21-,22+/m1/s1
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n/an/a 21n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18398
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{[(2-methoxypheny...)
Show SMILES COc1ccccc1CNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C27H32FN3O7/c1-16(2)24-25(26(36)29-14-17-6-4-5-7-22(17)37-3)30-31(19-10-8-18(28)9-11-19)27(24)38-15-21(33)12-20(32)13-23(34)35/h4-11,16,20-21,32-33H,12-15H2,1-3H3,(H,29,36)(H,34,35)/t20-,21+/m1/s1
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n/an/a 22n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18422
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-4-(propan-2-yl)-3-[...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)NCc1ccccn1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C25H29FN4O6/c1-15(2)22-23(24(35)28-13-17-5-3-4-10-27-17)29-30(18-8-6-16(26)7-9-18)25(22)36-14-20(32)11-19(31)12-21(33)34/h3-10,15,19-20,31-32H,11-14H2,1-2H3,(H,28,35)(H,33,34)/t19-,20+/m1/s1
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n/an/a 25n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18423
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-({[3-(methoxymeth...)
Show SMILES COCc1cccc(CNC(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)c1 |r|
Show InChI InChI=1S/C28H34FN3O7/c1-17(2)25-26(27(37)30-14-18-5-4-6-19(11-18)15-38-3)31-32(21-9-7-20(29)8-10-21)28(25)39-16-23(34)12-22(33)13-24(35)36/h4-11,17,22-23,33-34H,12-16H2,1-3H3,(H,30,37)(H,35,36)/t22-,23+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18407
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-[methyl({[3-(trif...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(c1)C(F)(F)F)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H31F4N3O6/c1-16(2)24-25(26(40)34(3)14-17-5-4-6-18(11-17)28(30,31)32)33-35(20-9-7-19(29)8-10-20)27(24)41-15-22(37)12-21(36)13-23(38)39/h4-11,16,21-22,36-37H,12-15H2,1-3H3,(H,38,39)/t21-,22+/m1/s1
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n/an/a 31n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18392
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{methyl[(4-methyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1ccc(C)cc1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O6/c1-17(2)25-26(27(37)31(4)15-19-7-5-18(3)6-8-19)30-32(21-11-9-20(29)10-12-21)28(25)38-16-23(34)13-22(33)14-24(35)36/h5-12,17,22-23,33-34H,13-16H2,1-4H3,(H,35,36)/t22-,23+/m1/s1
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n/an/a 37n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18406
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-{methyl[(3-methyl...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N(C)Cc1cccc(C)c1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C28H34FN3O6/c1-17(2)25-26(27(37)31(4)15-19-7-5-6-18(3)12-19)30-32(21-10-8-20(29)9-11-21)28(25)38-16-23(34)13-22(33)14-24(35)36/h5-12,17,22-23,33-34H,13-16H2,1-4H3,(H,35,36)/t22-,23+/m1/s1
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n/an/a 37n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18403
PNG
((3R,5S)-6-[(3-{[(3,5-dimethoxyphenyl)methyl](methy...)
Show SMILES COc1cc(CN(C)C(=O)c2nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c2C(C)C)-c2ccc(F)cc2)cc(OC)c1 |r|
Show InChI InChI=1S/C29H36FN3O8/c1-17(2)26-27(28(38)32(3)15-18-10-23(39-4)14-24(11-18)40-5)31-33(20-8-6-19(30)7-9-20)29(26)41-16-22(35)12-21(34)13-25(36)37/h6-11,14,17,21-22,34-35H,12-13,15-16H2,1-5H3,(H,36,37)/t21-,22+/m1/s1
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n/an/a 43n/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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18421
PNG
((3R,5S)-6-{[1-(4-fluorophenyl)-3-(piperidin-1-ylca...)
Show SMILES CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(O)=O)n(nc1C(=O)N1CCCCC1)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C24H32FN3O6/c1-15(2)21-22(23(33)27-10-4-3-5-11-27)26-28(17-8-6-16(25)7-9-17)24(21)34-14-19(30)12-18(29)13-20(31)32/h6-9,15,18-19,29-30H,3-5,10-14H2,1-2H3,(H,31,32)/t18-,19+/m1/s1
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n/an/a 47n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase


(Rattus norvegicus (rat))		BDBM18416
PNG
((3R,5S)-6-{[3-(butylcarbamoyl)-1-(4-fluorophenyl)-...)
Show SMILES CCCCNC(=O)c1nn(c(OC[C@@H](O)C[C@@H](O)CC(O)=O)c1C(C)C)-c1ccc(F)cc1 |r|
Show InChI InChI=1S/C23H32FN3O6/c1-4-5-10-25-22(32)21-20(14(2)3)23(27(26-21)16-8-6-15(24)7-9-16)33-13-18(29)11-17(28)12-19(30)31/h6-9,14,17-18,28-29H,4-5,10-13H2,1-3H3,(H,25,32)(H,30,31)/t17-,18+/m1/s1
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n/an/a 76n/an/an/an/an/an/a



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 Lett 17: 5567-72 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.004
BindingDB Entry DOI: 10.7270/Q2ZS2TS7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%