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PubMed code 1992137

Compile data set for download or QSAR
Found 22 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
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011018
PNG
(6-{2-[3,4-Dichloro-2-(4-fluoro-phenyl)-5-isopropyl...)
Show SMILES CC(C)c1c(Cl)c(Cl)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C20H22Cl2FNO3/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-15-9-14(25)10-16(26)27-15/h3-6,11,14-15,25H,7-10H2,1-2H3/t14-,15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011020
PNG
(6-{2-[3,4-Dibromo-2-(4-fluoro-phenyl)-5-isopropyl-...)
Show SMILES CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C20H22Br2FNO3/c1-11(2)19-17(21)18(22)20(12-3-5-13(23)6-4-12)24(19)8-7-15-9-14(25)10-16(26)27-15/h3-6,11,14-15,25H,7-10H2,1-2H3/t14-,15-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA 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
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 30n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011035
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)OCc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C34H34FNO5/c1-22(2)32-31(34(39)40-21-23-9-5-3-6-10-23)30(24-11-7-4-8-12-24)33(25-13-15-26(35)16-14-25)36(32)18-17-28-19-27(37)20-29(38)41-28/h3-16,22,27-28,37H,17-21H2,1-2H3/t27-,28-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011025
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-2-...)
Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccn1
Show InChI InChI=1S/C25H27FN2O3/c1-16(2)23-15-21(22-5-3-4-11-27-22)25(17-6-8-18(26)9-7-17)28(23)12-10-20-13-19(29)14-24(30)31-20/h3-9,11,15-16,19-20,29H,10,12-14H2,1-2H3/t19-,20-/m1/s1
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n/an/a 46n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011024
PNG
(2-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CCOC(=O)c1c(c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C29H32FNO5/c1-4-35-29(34)26-25(19-8-6-5-7-9-19)27(18(2)3)31(28(26)20-10-12-21(30)13-11-20)15-14-23-16-22(32)17-24(33)36-23/h5-13,18,22-23,32H,4,14-17H2,1-3H3/t22-,23-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011029
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-3-...)
Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1cccnc1
Show InChI InChI=1S/C25H27FN2O3/c1-16(2)23-14-22(18-4-3-10-27-15-18)25(17-5-7-19(26)8-6-17)28(23)11-9-21-12-20(29)13-24(30)31-21/h3-8,10,14-16,20-21,29H,9,11-13H2,1-2H3/t20-,21-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011021
PNG
(6-{2-[5-(4-Fluoro-phenyl)-2-isopropyl-3-phenyl-pyr...)
Show SMILES CC(C)c1c(cc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C26H28FNO3/c1-17(2)26-23(18-6-4-3-5-7-18)16-24(19-8-10-20(27)11-9-19)28(26)13-12-22-14-21(29)15-25(30)31-22/h3-11,16-17,21-22,29H,12-15H2,1-2H3/t21-,22-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011033
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3,4-dimethyl...)
Show SMILES CC(C)c1c(C)c(C)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C22H28FNO3/c1-13(2)21-14(3)15(4)22(16-5-7-17(23)8-6-16)24(21)10-9-19-11-18(25)12-20(26)27-19/h5-8,13,18-19,25H,9-12H2,1-4H3/t18-,19-/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011022
PNG
(1-[2-(4-Hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl...)
Show SMILES CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C29H33NO5/c1-4-34-29(33)26-25(20-11-7-5-8-12-20)28(21-13-9-6-10-14-21)30(27(26)19(2)3)16-15-23-17-22(31)18-24(32)35-23/h5-14,19,22-23,31H,4,15-18H2,1-3H3/t22-,23-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011023
PNG
(2-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES COC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1C(=O)OC)-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FNO7/c1-13(2)21-19(23(29)31-3)20(24(30)32-4)22(14-5-7-15(25)8-6-14)26(21)10-9-17-11-16(27)12-18(28)33-17/h5-8,13,16-17,27H,9-12H2,1-4H3/t16-,17-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011028
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H32FNO5/c1-4-35-29(34)26-25(19-8-6-5-7-9-19)28(20-10-12-21(30)13-11-20)31(27(26)18(2)3)15-14-23-16-22(32)17-24(33)36-23/h5-13,18,22-23,32H,4,14-17H2,1-3H3/t22-,23-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011034
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-pyrrol-1-yl]...)
Show SMILES CC(C)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C20H24FNO3/c1-13(2)18-7-8-19(14-3-5-15(21)6-4-14)22(18)10-9-17-11-16(23)12-20(24)25-17/h3-8,13,16-17,23H,9-12H2,1-2H3/t16-,17-/m1/s1
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n/an/a 230n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011016
PNG
(4-(4-Cyano-phenyl)-5-(4-fluoro-phenyl)-1-[2-(4-hyd...)
Show SMILES CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccc(cc1)C#N)-c1ccc(F)cc1
Show InChI InChI=1S/C30H31FN2O5/c1-4-37-30(36)27-26(20-7-5-19(17-32)6-8-20)29(21-9-11-22(31)12-10-21)33(28(27)18(2)3)14-13-24-15-23(34)16-25(35)38-24/h5-12,18,23-24,34H,4,13-16H2,1-3H3/t23-,24-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011017
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-pyridin-4-...)
Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccncc1
Show InChI InChI=1S/C25H27FN2O3/c1-16(2)23-15-22(17-7-10-27-11-8-17)25(18-3-5-19(26)6-4-18)28(23)12-9-21-13-20(29)14-24(30)31-21/h3-8,10-11,15-16,20-21,29H,9,12-14H2,1-2H3/t20-,21-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011019
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-phenyl-pyr...)
Show SMILES CC(C)c1cc(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C26H28FNO3/c1-17(2)24-16-23(18-6-4-3-5-7-18)26(19-8-10-20(27)11-9-19)28(24)13-12-22-14-21(29)15-25(30)31-22/h3-11,16-17,21-22,29H,12-15H2,1-2H3/t21-,22-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011026
PNG
(2-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CCOC(=O)c1c(C(C)C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1C(=O)OCC)-c1ccc(F)cc1
Show InChI InChI=1S/C26H32FNO7/c1-5-33-25(31)21-22(26(32)34-6-2)24(16-7-9-17(27)10-8-16)28(23(21)15(3)4)12-11-19-13-18(29)14-20(30)35-19/h7-10,15,18-19,29H,5-6,11-14H2,1-4H3/t18-,19-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011032
PNG
(5-(4-Fluoro-phenyl)-1-[2-(4-hydroxy-6-oxo-tetrahyd...)
Show SMILES CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C33H33FN2O4/c1-21(2)31-30(33(39)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)18-17-27-19-26(37)20-28(38)40-27/h3-16,21,26-27,37H,17-20H2,1-2H3,(H,35,39)/t26-,27-/m1/s1
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Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011031
PNG
(6-{2-[2-(4-Fluoro-phenyl)-5-isopropyl-3-(2,2,2-tri...)
Show SMILES CC(C)c1cc(C(=O)C(F)(F)F)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C22H23F4NO4/c1-12(2)18-11-17(21(30)22(24,25)26)20(13-3-5-14(23)6-4-13)27(18)8-7-16-9-15(28)10-19(29)31-16/h3-6,11-12,15-16,28H,7-10H2,1-2H3/t15-,16-/m1/s1
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n/an/a 800n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011027
PNG
(2-Ethyl-1-[2-(4-hydroxy-6-oxo-tetrahydro-pyran-2-y...)
Show SMILES CCOC(=O)c1c(CC)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H31NO5/c1-3-23-26(28(32)33-4-2)25(19-11-7-5-8-12-19)27(20-13-9-6-10-14-20)29(23)16-15-22-17-21(30)18-24(31)34-22/h5-14,21-22,30H,3-4,15-18H2,1-2H3/t21-,22-/m1/s1
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n/an/a 890n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011030
PNG
(1-[2-(4-Hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl...)
Show SMILES CCOC(=O)c1c(C)n(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C27H29NO5/c1-3-32-27(31)24-18(2)28(15-14-22-16-21(29)17-23(30)33-22)26(20-12-8-5-9-13-20)25(24)19-10-6-4-7-11-19/h4-13,21-22,29H,3,14-17H2,1-2H3/t21-,22-/m1/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibition of HMG-CoA reductase activity in partially purified rat liver


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%