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BDBM25295 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-(2-hydrogen phosphonato-2-phosphonoethyl)pyridin-1-ium::bisphosphonate, 44

SMILES: [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1ccc[n+](-[#6]-[#6](P([#8])([#8])=O)P([#8])([#8-])=O)c1

InChI Key: InChIKey=OVTUNVFPRKDTNL-OQLLNIDSSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 25295   
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
Geranylgeranyl Diphosphate Synthase (GGPPS)


(Homo sapiens (Human))
BDBM25295
PNG
(3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-1-(2-hydro...)
Show SMILES CC(C)=CCC\C(C)=C\Cc1ccc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H27NO6P2/c1-14(2)6-4-7-15(3)9-10-16-8-5-11-18(12-16)13-17(25(19,20)21)26(22,23)24/h5-6,8-9,11-12,17H,4,7,10,13H2,1-3H3,(H3-,19,20,21,22,23,24)/b15-9+
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.91E+3n/an/an/an/an/an/a



National Taiwan University



Assay Description
The inhibitory activity of each test compound was evaluated by monitoring the formation of [14C]GGPP from FPP, using [14C]IPP as the substrate. To co...


J Med Chem 51: 5594-607 (2008)


Article DOI: 10.1021/jm800325y
BindingDB Entry DOI: 10.7270/Q2028PVT
More data for this
Ligand-Target Pair