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BDBM50007277 CHEMBL177545::Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5-triisopropyl-biphenyl-3-yloxy)-3,5-dihydroxy-hexanoic acid anion;Sodium acetyl

SMILES: CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C

InChI Key: InChIKey=KFESYODZAQTVOQ-UXHICEINSA-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 = 50007277   
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))
BDBM50007277
PNG
(CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...)
Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C
Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4.10n/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)


BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50007277
PNG
(CHEMBL177545 | Sodium;6-(4'-Fluoro-6-hydroxy-2,4,5...)
Show SMILES CC(C)c1c(O)c(-c2ccc(F)cc2)c(C(C)C)c(OC[C@@H](O)C[C@@H](O)CC([O-])=O)c1C(C)C
Show InChI InChI=1S/C27H37FO6/c1-14(2)22-23(15(3)4)27(34-13-20(30)11-19(29)12-21(31)32)24(16(5)6)25(26(22)33)17-7-9-18(28)10-8-17/h7-10,14-16,19-20,29-30,33H,11-13H2,1-6H3,(H,31,32)/p-1/t19-,20+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 4n/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)


BindingDB Entry DOI: 10.7270/Q2C829WX
More data for this
Ligand-Target Pair