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PubMed code 25935643

Compile data set for download or QSAR
Found 5 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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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



University of Iowa

Curated by ChEMBL


Assay Description
Inhibition of FDPS (unknown origin)


Bioorg Med Chem Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50226002
PNG
((R)-2-hydroxy-2-phosphono-3-(pyridin-3-yl)propanoi...)
Show SMILES OC(=O)C(O)(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C8H10NO6P/c10-7(11)8(12,16(13,14)15)4-6-2-1-3-9-5-6/h1-3,5,12H,4H2,(H,10,11)(H2,13,14,15)
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n/an/a 2.00E+5n/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 Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50083066
PNG
(CHEMBL240776)
Show SMILES OC(=O)C(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1/C8H10NO5P/c10-8(11)7(15(12,13)14)4-6-2-1-3-9-5-6/h1-3,5,7H,4H2,(H,10,11)(H2,12,13,14)
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n/an/a 1.00E+6n/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 Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50083065
PNG
(CHEMBL3422845)
Show SMILES OC(=O)C(O)(Cc1ccc[n+]([O-])c1)P(O)(O)=O
Show InChI InChI=1/C8H10NO7P/c10-7(11)8(12,17(14,15)16)4-6-2-1-3-9(13)5-6/h1-3,5,12H,4H2,(H,10,11)(H2,14,15,16)
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n/an/a 2.00E+6n/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 Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50083067
PNG
(CHEMBL3422846)
Show SMILES OC(=O)C(Cc1ccc[n+]([O-])c1)P(O)(O)=O
Show InChI InChI=1/C8H10NO6P/c10-8(11)7(16(13,14)15)4-6-2-1-3-9(12)5-6/h1-3,5,7H,4H2,(H,10,11)(H2,13,14,15)
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n/an/a>2.00E+6n/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 Lett 25: 2331-4 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.021
BindingDB Entry DOI: 10.7270/Q2M61MZN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%