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BDBM50007291 CHEMBL321713::Sodium; 6-[2,4-dichloro-6-(cyclohexyl-difluoro-methyl)-phenoxy]-3,5-dihydroxy-hexanoate

SMILES: OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O

InChI Key: InChIKey=HBEFJWHMKNJWPE-KWCCSABGSA-M

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50007291   
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))
BDBM50007291
PNG
(CHEMBL321713 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H24Cl2F2O5/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27)/p-1/t13-,14?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.50E+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))
BDBM50007291
PNG
(CHEMBL321713 | Sodium; 6-[2,4-dichloro-6-(cyclohex...)
Show SMILES OC(COc1c(Cl)cc(Cl)cc1C(F)(F)C1CCCCC1)C[C@@H](O)CC([O-])=O
Show InChI InChI=1S/C19H24Cl2F2O5/c20-12-6-15(19(22,23)11-4-2-1-3-5-11)18(16(21)7-12)28-10-14(25)8-13(24)9-17(26)27/h6-7,11,13-14,24-25H,1-5,8-10H2,(H,26,27)/p-1/t13-,14?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 85n/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