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2 similar compounds to monomer 50007272

Compile data set for download or QSAR
Wt: 855.0
BDBM50007268
Wt: 708.8
BDBM50007274

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50007268,50007274   
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))
BDBM50007268
PNG
(6-[4-{1-[4-[5-carboxylato-2,4-dihydroxy-(2R,4R)-pe...)
Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C45H54F2O10S2/c1-25(2)37-19-35(21-39(27-7-11-29(46)12-8-27)43(37)56-23-33(50)15-31(48)17-41(52)53)58-45(5,6)59-36-20-38(26(3)4)44(40(22-36)28-9-13-30(47)14-10-28)57-24-34(51)16-32(49)18-42(54)55/h7-14,19-22,25-26,31-34,48-51H,15-18,23-24H2,1-6H3,(H,52,53)(H,54,55)/p-2/t31-,32-,33-,34-/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
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))
BDBM50007274
PNG
(CHEMBL101831 | Disodiumsalt;6-{4'-Fluoro-5-[1-(4'-...)
Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1
Show InChI InChI=1S/C39H44F2O6S2/c1-22(2)32-17-30(19-34(37(32)46)24-7-11-26(40)12-8-24)48-39(5,6)49-31-18-33(23(3)4)38(35(20-31)25-9-13-27(41)14-10-25)47-21-29(43)15-28(42)16-36(44)45/h7-14,17-20,22-23,28-29,42-43,46H,15-16,21H2,1-6H3,(H,44,45)/p-2/t28-,29?/m1/s1
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n/an/a 30n/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))
BDBM50007274
PNG
(CHEMBL101831 | Disodiumsalt;6-{4'-Fluoro-5-[1-(4'-...)
Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(c1[O-])-c1ccc(F)cc1
Show InChI InChI=1S/C39H44F2O6S2/c1-22(2)32-17-30(19-34(37(32)46)24-7-11-26(40)12-8-24)48-39(5,6)49-31-18-33(23(3)4)38(35(20-31)25-9-13-27(41)14-10-25)47-21-29(43)15-28(42)16-36(44)45/h7-14,17-20,22-23,28-29,42-43,46H,15-16,21H2,1-6H3,(H,44,45)/p-2/t28-,29?/m1/s1
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n/an/a>1.70E+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))
BDBM50007268
PNG
(6-[4-{1-[4-[5-carboxylato-2,4-dihydroxy-(2R,4R)-pe...)
Show SMILES CC(C)c1cc(SC(C)(C)Sc2cc(C(C)C)c(OC[C@H](O)C[C@@H](O)CC([O-])=O)c(c2)-c2ccc(F)cc2)cc(-c2ccc(F)cc2)c1OC[C@H](O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C45H54F2O10S2/c1-25(2)37-19-35(21-39(27-7-11-29(46)12-8-27)43(37)56-23-33(50)15-31(48)17-41(52)53)58-45(5,6)59-36-20-38(26(3)4)44(40(22-36)28-9-13-30(47)14-10-28)57-24-34(51)16-32(49)18-42(54)55/h7-14,19-22,25-26,31-34,48-51H,15-18,23-24H2,1-6H3,(H,52,53)(H,54,55)/p-2/t31-,32-,33-,34-/m1/s1
PDB
MMDB

Reactome pathway
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Article
PubMed
n/an/a 10n/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