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6 similar compounds to monomer 50007293

Compile data set for download or QSAR
Wt: 431.4
BDBM50014839
Wt: 409.4
BDBM50011211
Wt: 471.4
BDBM50011204
Wt: 451.5
BDBM50007295
Wt: 437.4
BDBM50007281
Wt: 443.4
BDBM50007300

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50014839,50011211,50011204,50007295,50007281,50007300   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014839
PNG
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)
Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C27H26FNO3/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver HMG-CoA reductase


J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50014839
PNG
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)
Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C27H26FNO3/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...


J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007281
PNG
(CHEMBL2367819 | Sodium; 7-[6-tert-butyl-4-(4-fluor...)
Show SMILES [Na+].CC(C)c1cc(-c2ccc(F)cc2)c(\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)c(n1)C(C)C
Show InChI InChI=1S/C24H30FNO4.Na/c1-14(2)22-13-21(16-5-7-17(25)8-6-16)20(24(26-22)15(3)4)10-9-18(27)11-19(28)12-23(29)30;/h5-10,13-15,18-19,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t18-,19-;/m1./s1
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n/an/a 3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of solubilized HMG-CoA reductase in rat liver.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011211
PNG
(CHEMBL2368089 | Sodium; 7-[4-(4-fluoro-phenyl)-2-i...)
Show SMILES [Na+].CC(C)c1nc(C)cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H26FNO4.Na/c1-13(2)22-19(9-8-17(25)11-18(26)12-21(27)28)20(10-14(3)24-22)15-4-6-16(23)7-5-15;/h4-10,13,17-18,25-26H,11-12H2,1-3H3,(H,27,28);/q;+1/p-1/b9-8+;/t17-,18-;/m1./s1
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n/an/a 7.70n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.


J Med Chem 34: 463-6 (1991)


Article DOI: 10.1021/jm00105a071
BindingDB Entry DOI: 10.7270/Q2MS3TC4
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007300
PNG
(CHEMBL2367827 | Sodium; 7-[2-(4-fluoro-phenyl)-4-m...)
Show SMILES [Na+].Cc1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C25H24FNO4.Na/c1-16-13-23(17-5-3-2-4-6-17)27-25(18-7-9-19(26)10-8-18)22(16)12-11-20(28)14-21(29)15-24(30)31;/h2-13,20-21,28-29H,14-15H2,1H3,(H,30,31);/q;+1/p-1/b12-11+;/t20-,21-;/m1./s1
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n/an/a 38n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of solubilized HMG-CoA reductase in rat liver.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50011204
PNG
(CHEMBL2368094 | Sodium; 7-[4-(4-fluoro-phenyl)-2-i...)
Show SMILES [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C27H28FNO4.Na/c1-17(2)27-23(13-12-21(30)14-22(31)15-26(32)33)24(18-8-10-20(28)11-9-18)16-25(29-27)19-6-4-3-5-7-19;/h3-13,16-17,21-22,30-31H,14-15H2,1-2H3,(H,32,33);/q;+1/p-1/b13-12+;/t21-,22-;/m1./s1
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n/an/a 2n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Ability to inhibit microsomal preparation of HMG-CoA reductase in rat liver.


J Med Chem 34: 463-6 (1991)


Article DOI: 10.1021/jm00105a071
BindingDB Entry DOI: 10.7270/Q2MS3TC4
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007295
PNG
(CHEMBL2367823 | Sodium; 7-[4-(4-fluoro-phenyl)-2,6...)
Show SMILES [Na+].CC(C)c1nc(cc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC([O-])=O)C(C)(C)C
Show InChI InChI=1S/C25H32FNO4.Na/c1-15(2)24-20(11-10-18(28)12-19(29)13-23(30)31)21(14-22(27-24)25(3,4)5)16-6-8-17(26)9-7-16;/h6-11,14-15,18-19,28-29H,12-13H2,1-5H3,(H,30,31);/q;+1/p-1/b11-10+;/t18-,19-;/m1./s1
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n/an/a 1n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of solubilized HMG-CoA reductase in rat liver.


J Med Chem 34: 2962-83 (1991)


Article DOI: 10.1021/jm00114a004
BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair