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3 similar compounds to monomer 50007303

Compile data set for download or QSAR
Wt: 469.4
BDBM50007299
Wt: 417.4
BDBM50007255
Wt: 431.5
BDBM50007275

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50007299,50007255,50007275   
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))
BDBM50007255
PNG
(CHEMBL100165 | Sodium; 6-(4'-fluoro-3,5-diisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1
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n/an/a 2.70n/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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007255
PNG
(CHEMBL100165 | Sodium; 6-(4'-fluoro-3,5-diisopropy...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(O)C[C@@H](O)CC([O-])=O)c(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C24H31FO5/c1-14(2)17-9-21(15(3)4)24(22(10-17)16-5-7-18(25)8-6-16)30-13-20(27)11-19(26)12-23(28)29/h5-10,14-15,19-20,26-27H,11-13H2,1-4H3,(H,28,29)/p-1/t19-,20?/m1/s1
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n/an/a 30n/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))
BDBM50007275
PNG
(CHEMBL317777 | Sodium; 6-(5-tert-butyl-4'-fluoro-3...)
Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)C(C)(C)C
Show InChI InChI=1S/C25H33FO5/c1-15(2)21-10-17(25(3,4)5)11-22(16-6-8-18(26)9-7-16)24(21)31-14-20(28)12-19(27)13-23(29)30/h6-11,15,19-20,27-28H,12-14H2,1-5H3,(H,29,30)/p-1/t19-,20?/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
3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)


(Homo sapiens (Human))
BDBM50007299
PNG
(CHEMBL329307 | Sodium; 6-(4,4''-difluoro-5'-isopro...)
Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2O5/c1-16(2)24-11-19(17-3-7-20(28)8-4-17)12-25(18-5-9-21(29)10-6-18)27(24)34-15-23(31)13-22(30)14-26(32)33/h3-12,16,22-23,30-31H,13-15H2,1-2H3,(H,32,33)/p-1/t22-,23?/m1/s1
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n/an/a 55n/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))
BDBM50007299
PNG
(CHEMBL329307 | Sodium; 6-(4,4''-difluoro-5'-isopro...)
Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)-c1ccc(F)cc1
Show InChI InChI=1S/C27H28F2O5/c1-16(2)24-11-19(17-3-7-20(28)8-4-17)12-25(18-5-9-21(29)10-6-18)27(24)34-15-23(31)13-22(30)14-26(32)33/h3-12,16,22-23,30-31H,13-15H2,1-2H3,(H,32,33)/p-1/t22-,23?/m1/s1
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n/an/a 17n/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))
BDBM50007275
PNG
(CHEMBL317777 | Sodium; 6-(5-tert-butyl-4'-fluoro-3...)
Show SMILES CC(C)c1cc(cc(-c2ccc(F)cc2)c1OCC(O)C[C@@H](O)CC([O-])=O)C(C)(C)C
Show InChI InChI=1S/C25H33FO5/c1-15(2)21-10-17(25(3,4)5)11-22(16-6-8-18(26)9-7-16)24(21)31-14-20(28)12-19(27)13-23(29)30/h6-11,15,19-20,27-28H,12-14H2,1-5H3,(H,29,30)/p-1/t19-,20?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>500n/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