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4 similar compounds to monomer 50007273

Compile data set for download or QSAR
Wt: 453.5
BDBM50007264
Wt: 457.5
BDBM50007279
Wt: 383.8
BDBM50007282
Wt: 386.4
BDBM50011212

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50007264,50007279,50007282,50011212   
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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007264
PNG
(CHEMBL99838 | Sodium; 6-(5-cyclohexylmethyl-3-isop...)
Show SMILES CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C28H38O5/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32)/p-1/t24-,25?/m1/s1
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n/an/a 100n/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))
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))
BDBM50011212
PNG
(CHEMBL140527 | CHEMBL3349879 | Sodium; 6-(2-cycloh...)
Show SMILES [Na+].Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c(c1)C1CCCCCC1
Show InChI InChI=1S/C21H32O5/c1-14-9-15(2)21(19(10-14)16-7-5-3-4-6-8-16)26-13-18(23)11-17(22)12-20(24)25/h9-10,16-18,22-23H,3-8,11-13H2,1-2H3,(H,24,25)/p-1/t17-,18?/m1/s1
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n/an/a 141n/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))
BDBM50007264
PNG
(CHEMBL99838 | Sodium; 6-(5-cyclohexylmethyl-3-isop...)
Show SMILES CC(C)c1cc(cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccccc1
Show InChI InChI=1S/C28H38O5/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32)/p-1/t24-,25?/m1/s1
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n/an/a 400n/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))
BDBM50007282
PNG
(CHEMBL101662 | Sodium; 6-(4-chloro-2-cyclohexylmet...)
Show SMILES Cc1cc(Cl)cc(CC2CCCCC2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C20H29ClO5/c1-13-7-16(21)9-15(8-14-5-3-2-4-6-14)20(13)26-12-18(23)10-17(22)11-19(24)25/h7,9,14,17-18,22-23H,2-6,8,10-12H2,1H3,(H,24,25)/p-1/t17-,18?/m1/s1
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n/an/a 75n/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