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BDBM50007808 CHEMBL3234106

SMILES: CN1CCOC(O)(C1)c1ccc2Sc3ccccc3N(C)c2c1

InChI Key: InChIKey=YYNJJGDTZUNLPJ-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50007808   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Squalene synthetase


(Rattus norvegicus)
BDBM50007808
PNG
(CHEMBL3234106)
Show SMILES CN1CCOC(O)(C1)c1ccc2Sc3ccccc3N(C)c2c1
Show InChI InChI=1S/C18H20N2O2S/c1-19-9-10-22-18(21,12-19)13-7-8-17-15(11-13)20(2)14-5-3-4-6-16(14)23-17/h3-8,11,21H,9-10,12H2,1-2H3
PDB
MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of squalene synthase in rat liver microsomes assessed as decrease in conversion of [3H]FPP to squalene


J Med Chem 57: 2568-81 (2014)


Article DOI: 10.1021/jm401842e
BindingDB Entry DOI: 10.7270/Q2B56M8R
More data for this
Ligand-Target Pair