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BDBM50007265 CHEMBL102112::Sodium; 3,5-dihydroxy-6-(2-methyl-4-phenyl-quinolin-3-yloxy)-hexanoate

SMILES: Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O

InChI Key: InChIKey=IAIQZRIQFGXCEB-TZHYSIJRSA-M

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007265   
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))
BDBM50007265
PNG
(CHEMBL102112 | Sodium; 3,5-dihydroxy-6-(2-methyl-4...)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H23NO5/c1-14-22(28-13-17(25)11-16(24)12-20(26)27)21(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-14/h2-10,16-17,24-25H,11-13H2,1H3,(H,26,27)/p-1/t16-,17?/m1/s1
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PC cid
PC sid
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Article
PubMed
n/an/a>5.00E+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))
BDBM50007265
PNG
(CHEMBL102112 | Sodium; 3,5-dihydroxy-6-(2-methyl-4...)
Show SMILES Cc1nc2ccccc2c(-c2ccccc2)c1OCC(O)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C22H23NO5/c1-14-22(28-13-17(25)11-16(24)12-20(26)27)21(15-7-3-2-4-8-15)18-9-5-6-10-19(18)23-14/h2-10,16-17,24-25H,11-13H2,1H3,(H,26,27)/p-1/t16-,17?/m1/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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