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PubMed code 20801032

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
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))
BDBM12576
PNG
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)
Show SMILES OC(Cc1cccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
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n/an/a 300n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli


Bioorg Med Chem Lett 20: 5781-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.133
BindingDB Entry DOI: 10.7270/Q21G0MGG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50327499
PNG
(2-(5-(1H-pyrazol-4-yl)pyridin-3-yl)-1-fluoroethane...)
Show SMILES OP(O)(=O)C(F)(Cc1cncc(c1)-c1cn[nH]c1)P(O)(O)=O
Show InChI InChI=1S/C10H12FN3O6P2/c11-10(21(15,16)17,22(18,19)20)2-7-1-8(4-12-3-7)9-5-13-14-6-9/h1,3-6H,2H2,(H,13,14)(H2,15,16,17)(H2,18,19,20)
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n/an/a 650n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli


Bioorg Med Chem Lett 20: 5781-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.133
BindingDB Entry DOI: 10.7270/Q21G0MGG
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50327500
PNG
(2-(5-(1H-indazol-5-yl)pyridin-3-yl)-1-fluoroethane...)
Show SMILES OP(O)(=O)C(F)(Cc1cncc(c1)-c1ccc2[nH]ncc2c1)P(O)(O)=O
Show InChI InChI=1S/C14H14FN3O6P2/c15-14(25(19,20)21,26(22,23)24)5-9-3-11(7-16-6-9)10-1-2-13-12(4-10)8-17-18-13/h1-4,6-8H,5H2,(H,17,18)(H2,19,20,21)(H2,22,23,24)
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n/an/a 700n/an/an/an/an/an/a



McGill University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli


Bioorg Med Chem Lett 20: 5781-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.133
BindingDB Entry DOI: 10.7270/Q21G0MGG
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%