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5 similar compounds to monomer 50007282

Compile data set for download or QSAR
Wt: 404.3
BDBM50007302
Wt: 439.8
BDBM50007305
Wt: 493.9
BDBM50007252
Wt: 456.3
BDBM50007269
Wt: 363.4
BDBM50007273

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50007302,50007305,50007252,50007269,50007273   
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))
BDBM50007252
PNG
(CHEMBL100884 | Sodium; 6-{4-chloro-2-cyclopentyl-6...)
Show SMILES OC(COc1c(CCCOc2ccc(F)cc2)cc(Cl)cc1C1CCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C26H32ClFO6/c27-19-12-18(6-3-11-33-23-9-7-20(28)8-10-23)26(24(13-19)17-4-1-2-5-17)34-16-22(30)14-21(29)15-25(31)32/h7-10,12-13,17,21-22,29-30H,1-6,11,14-16H2,(H,31,32)/p-1/t21-,22?/m1/s1
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n/an/a>1.00E+3n/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))
BDBM50007269
PNG
(CHEMBL316712 | Sodium; 6-{4-chloro-2-[3-(4-chloro-...)
Show SMILES Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H26Cl2O6/c1-14-9-17(24)10-15(3-2-8-29-20-6-4-16(23)5-7-20)22(14)30-13-19(26)11-18(25)12-21(27)28/h4-7,9-10,18-19,25-26H,2-3,8,11-13H2,1H3,(H,27,28)/p-1/t18-,19?/m1/s1
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n/an/a 50n/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))
BDBM50007305
PNG
(CHEMBL319983 | Sodium; 6-{4-chloro-2-[3-(4-fluoro-...)
Show SMILES Cc1cc(Cl)cc(CCCOc2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H26ClFO6/c1-14-9-16(23)10-15(3-2-8-29-20-6-4-17(24)5-7-20)22(14)30-13-19(26)11-18(25)12-21(27)28/h4-7,9-10,18-19,25-26H,2-3,8,11-13H2,1H3,(H,27,28)/p-1/t18-,19?/m1/s1
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n/an/a 80n/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))
BDBM50007302
PNG
(CHEMBL101633 | Sodium; 6-(2,4-dichloro-6-cyclohexy...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1CC1CCCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H26Cl2O5/c20-14-7-13(6-12-4-2-1-3-5-12)19(17(21)8-14)26-11-16(23)9-15(22)10-18(24)25/h7-8,12,15-16,22-23H,1-6,9-11H2,(H,24,25)/p-1/t15-,16?/m1/s1
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n/an/a 27n/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))
BDBM50007273
PNG
(CHEMBL99834 | Sodium; 6-(2-cyclohexylmethyl-4,6-di...)
Show SMILES Cc1cc(C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(CC2CCCCC2)c1
Show InChI InChI=1S/C21H32O5/c1-14-8-15(2)21(17(9-14)10-16-6-4-3-5-7-16)26-13-19(23)11-18(22)12-20(24)25/h8-9,16,18-19,22-23H,3-7,10-13H2,1-2H3,(H,24,25)/p-1/t18-,19?/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