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PubMed code 17963374

Compile data set for download or QSAR
Found 11 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))
BDBM50225571
PNG
(2-(methyl, decylsulfonium-1-yl)ethylidene-1,1-bisp...)
Show SMILES CCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C13H30O6P2S/c1-3-4-5-6-7-8-9-10-11-22(2)12-13(20(14,15)16)21(17,18)19/h13H,3-12H2,1-2H3,(H3-,14,15,16,17,18,19)
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n/an/a 251n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25272
PNG
(CHEMBL238046 | bisphosphonate, 25 | hydrogen {2-[d...)
Show SMILES CCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C15H34O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-24(2)14-15(22(16,17)18)23(19,20)21/h15H,3-14H2,1-2H3,(H3-,16,17,18,19,20,21)
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n/an/a 260n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25287
PNG
(CHEMBL235690 | bisphosphonate, 37 | hydrogen {2-[m...)
Show SMILES CCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C11H26O6P2S/c1-3-4-5-6-7-8-9-20(2)10-11(18(12,13)14)19(15,16)17/h11H,3-10H2,1-2H3,(H3-,12,13,14,15,16,17)
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n/an/a 360n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25303
PNG
(CHEMBL235059 | bisphosphonate, 50 | hydrogen {2-[m...)
Show SMILES CCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C6H16O6P2S/c1-3-4-15(2)5-6(13(7,8)9)14(10,11)12/h6H,3-5H2,1-2H3,(H3-,7,8,9,10,11,12)
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n/an/a 530n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25302
PNG
(CHEMBL277580 | bisphosphonate, 49 | hydrogen [2-(d...)
Show SMILES C[S+](C)CC(O)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C4H12O7P2S/c1-14(2)3-4(5,12(6,7)8)13(9,10)11/h5H,3H2,1-2H3,(H3-,6,7,8,9,10,11)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25294
PNG
(CHEMBL392884 | bisphosphonate, 43 | hydrogen {2-[m...)
Show SMILES CCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C8H20O6P2S/c1-3-4-5-6-17(2)7-8(15(9,10)11)16(12,13)14/h8H,3-7H2,1-2H3,(H3-,9,10,11,12,13,14)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM25275
PNG
(CHEMBL237808 | bisphosphonate, 28 | hydrogen {2-[m...)
Show SMILES CCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C17H38O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26(2)16-17(24(18,19)20)25(21,22)23/h17H,3-16H2,1-2H3,(H3-,18,19,20,21,22,23)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50225572
PNG
(2-(methyl, octadecylsulfonium-1-yl)ethylidene-1,1-...)
Show SMILES CCCCCCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C21H46O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(2)20-21(28(22,23)24)29(25,26)27/h21H,3-20H2,1-2H3,(H3-,22,23,24,25,26,27)
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n/an/a 7.94E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50225559
PNG
(1-hydroxy-3-(dimethylsulfonium-1-yl)propylidene-1,...)
Show SMILES C[S+](C)CCC(O)(P(O)(O)=O)P(O)([O-])=O |w:5.5,11.12|
Show InChI InChI=1S/C5H14O7P2S/c1-15(2)4-3-5(6,13(7,8)9)14(10,11)12/h6H,3-4H2,1-2H3,(H3-,7,8,9,10,11,12)
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50225563
PNG
(2-(methyl, licosylsulfonium-1-yl)ethylidene-1,1-bi...)
Show SMILES CCCCCCCCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C23H50O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(2)22-23(30(24,25)26)31(27,28)29/h23H,3-22H2,1-2H3,(H3-,24,25,26,27,28,29)
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n/an/a 2.74E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50225562
PNG
(2-(methyl, hexadecylsulfonium-1-yl)ethylidene-1,1-...)
Show SMILES CCCCCCCCCCCCCCCC[S+](C)CC(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C19H42O6P2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(2)18-19(26(20,21)22)27(23,24)25/h19H,3-18H2,1-2H3,(H3-,20,21,22,23,24,25)
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n/an/a 5.01E+4n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibition of human FPPS


J Med Chem 50: 6067-79 (2007)


Article DOI: 10.1021/jm700991k
BindingDB Entry DOI: 10.7270/Q2CZ36VH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%