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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50268566'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Squalene synthase


(Homo sapiens (Human))
BDBM50268566
PNG
(CHEMBL497618 | N-Methyl-N-[3-(3-phenoxyphenyl)prop...)
Show SMILES CN(CCCc1cccc(Oc2ccccc2)c1)C(=O)CP([O-])([O-])=O
Show InChI InChI=1S/C18H22NO5P/c1-19(18(20)14-25(21,22)23)12-6-8-15-7-5-11-17(13-15)24-16-9-3-2-4-10-16/h2-5,7,9-11,13H,6,8,12,14H2,1H3,(H2,21,22,23)/p-2
PDB
MMDB

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PC sid
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Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human recombinant squalene synthase expressed in Escherichia coli cells assessed as conversion of [3H]FPP to squalene by liquid scintil...


J Med Chem 52: 3869-80 (2009)


Article DOI: 10.1021/jm9001764
BindingDB Entry DOI: 10.7270/Q2XK8FF3
More data for this
Ligand-Target Pair