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BDBM50014822 (E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-phenyl)-6-phenyl-pyridin-3-yl]-vinyl}-tetrahydro-pyran-2-one::CHEMBL2368194

SMILES: COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1

InChI Key: InChIKey=RHFOAKIAPXDZKW-DOZDWOLESA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50014822   
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))
BDBM50014822
PNG
((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/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))
BDBM50014822
PNG
((E)-4-Hydroxy-6-{2-[2-isopropyl-4-(4-methoxy-pheny...)
Show SMILES COc1ccc(cc1)-c1cc(nc(C(C)C)c1\C=C\[C@@H]1C[C@@H](O)CC(=O)O1)-c1ccccc1
Show InChI InChI=1S/C28H29NO4/c1-18(2)28-24(14-13-23-15-21(30)16-27(31)33-23)25(19-9-11-22(32-3)12-10-19)17-26(29-28)20-7-5-4-6-8-20/h4-14,17-18,21,23,30H,15-16H2,1-3H3/b14-13+/t21-,23-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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