BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'HMG-CoA reductase' and Ligand = 'BDBM50007257'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007257
PNG
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)
Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 60n/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))
BDBM50007257
PNG
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)
Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
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
HMG-CoA reductase


(Homo sapiens (Human))
BDBM50007257
PNG
(CHEMBL323344 | Sodium; 6-{2-[cyclohexyl-(1,1-dimet...)
Show SMILES CCC(C)(C)OC(=O)C(C1CCCCC1)c1cc(C)cc(C)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C27H42O7/c1-6-27(4,5)34-26(32)24(19-10-8-7-9-11-19)22-13-17(2)12-18(3)25(22)33-16-21(29)14-20(28)15-23(30)31/h12-13,19-21,24,28-29H,6-11,14-16H2,1-5H3,(H,30,31)/p-1/t20-,21?,24?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+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