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PubMed code 1992138

Compile data set for download or QSAR
Found 9 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))
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 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011041
PNG
(6-{2-[6-Chloro-4-(4-fluoro-phenyl)-2-isopropyl-qui...)
Show SMILES CC(C)c1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C25H23ClFNO3/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)31-19)24(15-3-6-17(27)7-4-15)21-11-16(26)5-10-22(21)28-25/h3-11,14,18-19,29H,12-13H2,1-2H3/b9-8+/t18-,19-/m1/s1
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n/an/a 25n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50004774
PNG
((S)-2-Methyl-butyric acid (1S,3R,7S,8S,8aR)-8-[2-(...)
Show SMILES CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)[C@@H]12
Show InChI InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19?,20-,21-,23-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011037
PNG
(6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-quinolin-3-y...)
Show SMILES CC(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C25H24FNO3/c1-15(2)25-21(12-11-19-13-18(28)14-23(29)30-19)24(16-7-9-17(26)10-8-16)20-5-3-4-6-22(20)27-25/h3-12,15,18-19,28H,13-14H2,1-2H3/b12-11+/t18-,19-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011039
PNG
(6-{2-[4-(4-Fluoro-phenyl)-2-isopropyl-6-methoxy-qu...)
Show SMILES COc1ccc2nc(C(C)C)c(\C=C\[C@@H]3C[C@@H](O)CC(=O)O3)c(-c3ccc(F)cc3)c2c1
Show InChI InChI=1S/C26H26FNO4/c1-15(2)26-21(10-8-20-12-18(29)13-24(30)32-20)25(16-4-6-17(27)7-5-16)22-14-19(31-3)9-11-23(22)28-26/h4-11,14-15,18,20,29H,12-13H2,1-3H3/b10-8+/t18-,20-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011038
PNG
(6-{2-[6-Fluoro-4-(4-fluoro-phenyl)-2-isopropyl-1-o...)
Show SMILES CC(C)c1c(\C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)cc2)c2cc(F)ccc2[n+]1[O-]
Show InChI InChI=1S/C25H23F2NO4/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)32-19)24(15-3-5-16(26)6-4-15)21-11-17(27)7-10-22(21)28(25)31/h3-11,14,18-19,29H,12-13H2,1-2H3/b9-8+/t18-,19-/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011040
PNG
(6-{2-[6-Fluoro-4-(4-fluoro-phenyl)-2-isopropyl-qui...)
Show SMILES CC(C)c1nc2ccc(F)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C25H23F2NO3/c1-14(2)25-20(9-8-19-12-18(29)13-23(30)31-19)24(15-3-5-16(26)6-4-15)21-11-17(27)7-10-22(21)28-25/h3-11,14,18-19,29H,12-13H2,1-2H3/b9-8+/t18-,19-/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011042
PNG
(6-{2-[2-Dimethylamino-4-(4-fluoro-phenyl)-quinolin...)
Show SMILES CN(C)c1nc2ccccc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C24H23FN2O3/c1-27(2)24-20(12-11-18-13-17(28)14-22(29)30-18)23(15-7-9-16(25)10-8-15)19-5-3-4-6-21(19)26-24/h3-12,17-18,28H,13-14H2,1-2H3/b12-11+/t17-,18-/m1/s1
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n/an/a 350n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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


(Rattus norvegicus (rat))
BDBM50011045
PNG
(6-{2-[6-Chloro-4-(4-fluoro-phenyl)-2-methyl-quinol...)
Show SMILES Cc1nc2ccc(Cl)cc2c(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1
Show InChI InChI=1S/C23H19ClFNO3/c1-13-19(8-7-18-11-17(27)12-22(28)29-18)23(14-2-5-16(25)6-3-14)20-10-15(24)4-9-21(20)26-13/h2-10,17-18,27H,11-12H2,1H3/b8-7+/t17-,18-/m1/s1
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n/an/a 720n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats.


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