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9 similar compounds to monomer 50007256

Compile data set for download or QSAR
Wt: 489.9
BDBM50007290
Wt: 431.5
BDBM50007292
Wt: 505.5
BDBM50007301
Wt: 481.5
BDBM50007306
Wt: 519.5
BDBM50007266
Wt: 517.9
BDBM50007278
Wt: 457.5
BDBM50007279
Wt: 389.4
BDBM50007280
Wt: 533.5
BDBM50007285

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50007290,50007292,50007301,50007306,50007266,50007278,50007279,50007280,50007285   
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))
BDBM50007266
PNG
(CHEMBL100694 | Sodium; 6-{2-[(4-fluoro-phenyl)-(3-...)
Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)cc1)c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C28H28F4O5/c1-16-10-17(2)27(37-15-23(34)13-22(33)14-25(35)36)24(11-16)26(18-6-8-21(29)9-7-18)19-4-3-5-20(12-19)28(30,31)32/h3-12,22-23,26,33-34H,13-15H2,1-2H3,(H,35,36)/p-1/t22-,23?,26?/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007278
PNG
(CHEMBL103712 | Sodium; 6-{2-[bis-(4-fluoro-3-methy...)
Show SMILES Cc1cc(Cl)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(c1ccc(F)c(C)c1)c1ccc(F)c(C)c1
Show InChI InChI=1S/C28H29ClF2O5/c1-15-8-22(28(23(29)9-15)36-14-21(33)12-20(32)13-26(34)35)27(18-4-6-24(30)16(2)10-18)19-5-7-25(31)17(3)11-19/h4-11,20-21,27,32-33H,12-14H2,1-3H3,(H,34,35)/p-1/t20-,21?/m1/s1
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n/an/a 270n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007279
PNG
(CHEMBL443275 | Sodium; 6-{2-[cyclohexyl-(4-fluoro-...)
Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)C(C1CCCCC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H35FO5/c1-17-12-18(2)27(33-16-23(30)14-22(29)15-25(31)32)24(13-17)26(19-6-4-3-5-7-19)20-8-10-21(28)11-9-20/h8-13,19,22-23,26,29-30H,3-7,14-16H2,1-2H3,(H,31,32)/p-1/t22-,23?,26?/m1/s1
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n/an/a 95n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007280
PNG
(CHEMBL100560 | Sodium; 6-{2-[1-(4-fluoro-phenyl)-e...)
Show SMILES CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H27FO5/c1-13-8-14(2)22(28-12-19(25)10-18(24)11-21(26)27)20(9-13)15(3)16-4-6-17(23)7-5-16/h4-9,15,18-19,24-25H,10-12H2,1-3H3,(H,26,27)/p-1/t15?,18-,19?/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007285
PNG
(CHEMBL317142 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)
Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.


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))
BDBM50007306
PNG
(CHEMBL316938 | Sodium; 6-{2-[(4-fluoro-phenyl)-(4-...)
Show SMILES COc1ccc(cc1)C(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C28H31FO6/c1-17-12-18(2)28(35-16-23(31)14-22(30)15-26(32)33)25(13-17)27(19-4-8-21(29)9-5-19)20-6-10-24(34-3)11-7-20/h4-13,22-23,27,30-31H,14-16H2,1-3H3,(H,32,33)/p-1/t22-,23?,27?/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007292
PNG
(CHEMBL101774 | Sodium; 6-{2-[1-(4-fluoro-phenyl)-3...)
Show SMILES CC(C)CC(c1ccc(F)cc1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C25H33FO5/c1-15(2)9-22(18-5-7-19(26)8-6-18)23-11-16(3)10-17(4)25(23)31-14-21(28)12-20(27)13-24(29)30/h5-8,10-11,15,20-22,27-28H,9,12-14H2,1-4H3,(H,29,30)/p-1/t20-,21?,22?/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007285
PNG
(CHEMBL317142 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)
Show SMILES CC(C)c1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C32H32F2O5/c1-19(2)30-27-6-4-3-5-22(27)15-28(32(30)39-18-26(36)16-25(35)17-29(37)38)31(20-7-11-23(33)12-8-20)21-9-13-24(34)14-10-21/h3-15,19,25-26,31,35-36H,16-18H2,1-2H3,(H,37,38)/p-1/t25-,26?/m1/s1
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n/an/a 380n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007301
PNG
(CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)
Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1
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n/an/a 2.00E+4n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of the incorporation of sodium [14C]acetate into cholesterol in HEP G2 cells.


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))
BDBM50007301
PNG
(CHEMBL102199 | Sodium; 6-{3-[bis-(4-fluoro-phenyl)...)
Show SMILES Cc1c(OCC(O)C[C@@H](O)CC([O-])=O)c(cc2ccccc12)C(c1ccc(F)cc1)c1ccc(F)cc1
Show InChI InChI=1S/C30H28F2O5/c1-18-26-5-3-2-4-21(26)14-27(30(18)37-17-25(34)15-24(33)16-28(35)36)29(19-6-10-22(31)11-7-19)20-8-12-23(32)13-9-20/h2-14,24-25,29,33-34H,15-17H2,1H3,(H,35,36)/p-1/t24-,25?/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of HMG-CoA reductase in solubilized 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))
BDBM50007290
PNG
(CHEMBL100357 | Sodium; 6-{2-[bis-(4-fluoro-phenyl)...)
Show SMILES Cc1cc(Cl)cc(C(c2ccc(F)cc2)c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C26H25ClF2O5/c1-15-10-18(27)11-23(26(15)34-14-22(31)12-21(30)13-24(32)33)25(16-2-6-19(28)7-3-16)17-4-8-20(29)9-5-17/h2-11,21-22,25,30-31H,12-14H2,1H3,(H,32,33)/p-1/t21-,22?/m1/s1
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n/an/a 70n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


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