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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Farnesyl diphosphate synthase' and Ligand = 'BDBM50013158'   
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
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50013158
PNG
(CHEMBL3262353)
Show SMILES [Na+].[Na+].[Na+].[Na+].[#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@@]1([#6])[#8]-[#6@@H]1-[#6]-n1cc(-[#6]-[#6](P([#8-])([#8-])=O)P([#8-])([#8-])=O)nn1 |r|
Show InChI InChI=1S/C14H25N3O7P2.4Na/c1-10(2)5-4-6-14(3)12(24-14)9-17-8-11(15-16-17)7-13(25(18,19)20)26(21,22)23;;;;/h5,8,12-13H,4,6-7,9H2,1-3H3,(H2,18,19,20)(H2,21,22,23);;;;/q;4*+1/p-4/t12-,14-;;;;/m1..../s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.30E+4n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of recombinant FDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using GPP and [14C]IPP as substrate treated with enzym...


Bioorg Med Chem 22: 2791-8 (2014)


Article DOI: 10.1016/j.bmc.2014.03.014
BindingDB Entry DOI: 10.7270/Q2TD9ZWV
More data for this
Ligand-Target Pair