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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Squalene synthase' and Ligand = 'BDBM50292875'   
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))
BDBM50292875
PNG
(4-(4-Biphenyl)butyldiphosphonic Acid tripotassium ...)
Show SMILES CP([O-])(=O)C(CCCc1ccc(cc1)-c1ccccc1)P([O-])([O-])=O
Show InChI InChI=1S/C17H22O5P2/c1-23(18,19)17(24(20,21)22)9-5-6-14-10-12-16(13-11-14)15-7-3-2-4-8-15/h2-4,7-8,10-13,17H,5-6,9H2,1H3,(H,18,19)(H2,20,21,22)/p-3
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MMDB

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PC sid
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Similars

Article
PubMed
n/an/a 72n/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 BL21 (DE3) cells assessed as formation of 1,10-dioic acid metabolite ...


J Med Chem 52: 976-88 (2009)


Article DOI: 10.1021/jm801023u
BindingDB Entry DOI: 10.7270/Q2VM4C87
More data for this
Ligand-Target Pair