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BDBM50014839 (E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl-pyridin-3-yl]-vinyl}-4-hydroxy-tetrahydro-pyran-2-one::CHEMBL2368200

SMILES: CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1

InChI Key: InChIKey=YLQGWEPVRMDOKD-ITWZMISCSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014839   
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))
BDBM50014839
PNG
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)
Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C27H26FNO3/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
Inhibition of cellular HMG-CoA reductase in cultures of human HEP G2 cells, determined by decreased incorporation of sodium [14C]-acetate into choles...


J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair
HMG-CoA reductase


(Rattus norvegicus (rat))
BDBM50014839
PNG
((E)-6-{2-[2-(4-Fluoro-phenyl)-4-isopropyl-6-phenyl...)
Show SMILES CC(C)c1cc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C27H26FNO3/c1-17(2)24-16-25(18-6-4-3-5-7-18)29-27(19-8-10-20(28)11-9-19)23(24)13-12-22-14-21(30)15-26(31)32-22/h3-13,16-17,21-22,30H,14-15H2,1-2H3/b13-12+/t21-,22-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver HMG-CoA reductase


J Med Chem 33: 52-60 (1990)


Article DOI: 10.1021/jm00163a010
BindingDB Entry DOI: 10.7270/Q22N5177
More data for this
Ligand-Target Pair