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PubMed code 23610597

Compile data set for download or QSAR
Found 64 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))
BDBM50428292
PNG
(CHEMBL2338356)
Show SMILES CCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C9H18N2O7P2/c1-2-3-4-10-5-6-11(8-10)7-9(12,19(13,14)15)20(16,17)18/h5-6,8,12H,2-4,7H2,1H3,(H3-,13,14,15,16,17,18)
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n/an/a 30n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428292
PNG
(CHEMBL2338356)
Show SMILES CCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C9H18N2O7P2/c1-2-3-4-10-5-6-11(8-10)7-9(12,19(13,14)15)20(16,17)18/h5-6,8,12H,2-4,7H2,1H3,(H3-,13,14,15,16,17,18)
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n/an/a 30n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428291
PNG
(CHEMBL2338355)
Show SMILES CCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C8H16N2O7P2/c1-2-3-9-4-5-10(7-9)6-8(11,18(12,13)14)19(15,16)17/h4-5,7,11H,2-3,6H2,1H3,(H3-,12,13,14,15,16,17)
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n/an/a 34n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428296
PNG
(CHEMBL2338360)
Show SMILES CCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C13H26N2O7P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(16,23(17,18)19)24(20,21)22/h9-10,12,16H,2-8,11H2,1H3,(H3-,17,18,19,20,21,22)
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n/an/a 36n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428312
PNG
(CHEMBL2338376)
Show SMILES CCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C13H26N2O6P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(22(16,17)18)23(19,20)21/h9-10,12-13H,2-8,11H2,1H3,(H3-,16,17,18,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428295
PNG
(CHEMBL2338359)
Show SMILES CCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O7P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(15,22(16,17)18)23(19,20)21/h8-9,11,15H,2-7,10H2,1H3,(H3-,16,17,18,19,20,21)
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n/an/a 40n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428313
PNG
(CHEMBL2338377)
Show SMILES CCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C14H28N2O6P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(23(17,18)19)24(20,21)22/h10-11,13-14H,2-9,12H2,1H3,(H3-,17,18,19,20,21,22)
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n/an/a 43n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428311
PNG
(CHEMBL2338375)
Show SMILES CCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O6P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(21(15,16)17)22(18,19)20/h8-9,11-12H,2-7,10H2,1H3,(H3-,15,16,17,18,19,20)
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n/an/a 44n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428294
PNG
(CHEMBL2338358)
Show SMILES CCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C11H22N2O7P2/c1-2-3-4-5-6-12-7-8-13(10-12)9-11(14,21(15,16)17)22(18,19)20/h7-8,10,14H,2-6,9H2,1H3,(H3-,15,16,17,18,19,20)
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n/an/a 44n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428293
PNG
(CHEMBL2338357)
Show SMILES CCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O7P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(13,20(14,15)16)21(17,18)19/h6-7,9,13H,2-5,8H2,1H3,(H3-,14,15,16,17,18,19)
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n/an/a 49n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428290
PNG
(CHEMBL2338354)
Show SMILES CCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C7H14N2O7P2/c1-2-8-3-4-9(6-8)5-7(10,17(11,12)13)18(14,15)16/h3-4,6,10H,2,5H2,1H3,(H3-,11,12,13,14,15,16)
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n/an/a 49n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428310
PNG
(CHEMBL2338374)
Show SMILES CCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C11H22N2O6P2/c1-2-3-4-5-6-12-7-8-13(10-12)9-11(20(14,15)16)21(17,18)19/h7-8,10-11H,2-6,9H2,1H3,(H3-,14,15,16,17,18,19)
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n/an/a 58n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428307
PNG
(CHEMBL2338371)
Show SMILES CCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C8H16N2O6P2/c1-2-3-9-4-5-10(7-9)6-8(17(11,12)13)18(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H3-,11,12,13,14,15,16)
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n/an/a 66n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428308
PNG
(CHEMBL2338372)
Show SMILES CCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C9H18N2O6P2/c1-2-3-4-10-5-6-11(8-10)7-9(18(12,13)14)19(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H3-,12,13,14,15,16,17)
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n/an/a 79n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428289
PNG
(CHEMBL2338353)
Show SMILES Cn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C6H12N2O7P2/c1-7-2-3-8(5-7)4-6(9,16(10,11)12)17(13,14)15/h2-3,5,9H,4H2,1H3,(H3-,10,11,12,13,14,15)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428306
PNG
(CHEMBL2338370)
Show SMILES CCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C7H14N2O6P2/c1-2-8-3-4-9(6-8)5-7(16(10,11)12)17(13,14)15/h3-4,6-7H,2,5H2,1H3,(H3-,10,11,12,13,14,15)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428297
PNG
(CHEMBL2338361)
Show SMILES CCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C14H28N2O7P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(17,24(18,19)20)25(21,22)23/h10-11,13,17H,2-9,12H2,1H3,(H3-,18,19,20,21,22,23)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428296
PNG
(CHEMBL2338360)
Show SMILES CCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C13H26N2O7P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(16,23(17,18)19)24(20,21)22/h9-10,12,16H,2-8,11H2,1H3,(H3-,17,18,19,20,21,22)
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n/an/a 100n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 100n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428313
PNG
(CHEMBL2338377)
Show SMILES CCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C14H28N2O6P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(23(17,18)19)24(20,21)22/h10-11,13-14H,2-9,12H2,1H3,(H3-,17,18,19,20,21,22)
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n/an/a 100n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428314
PNG
(CHEMBL2338378)
Show SMILES CCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C15H30N2O6P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(24(18,19)20)25(21,22)23/h11-12,14-15H,2-10,13H2,1H3,(H3-,18,19,20,21,22,23)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428314
PNG
(CHEMBL2338378)
Show SMILES CCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C15H30N2O6P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(24(18,19)20)25(21,22)23/h11-12,14-15H,2-10,13H2,1H3,(H3-,18,19,20,21,22,23)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428309
PNG
(CHEMBL2338373)
Show SMILES CCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O6P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(19(13,14)15)20(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H3-,13,14,15,16,17,18)
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n/an/a 110n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428295
PNG
(CHEMBL2338359)
Show SMILES CCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O7P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(15,22(16,17)18)23(19,20)21/h8-9,11,15H,2-7,10H2,1H3,(H3-,16,17,18,19,20,21)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428298
PNG
(CHEMBL2338362)
Show SMILES CCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C15H30N2O7P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(18,25(19,20)21)26(22,23)24/h11-12,14,18H,2-10,13H2,1H3,(H3-,19,20,21,22,23,24)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428293
PNG
(CHEMBL2338357)
Show SMILES CCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O7P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(13,20(14,15)16)21(17,18)19/h6-7,9,13H,2-5,8H2,1H3,(H3-,14,15,16,17,18,19)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428294
PNG
(CHEMBL2338358)
Show SMILES CCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C11H22N2O7P2/c1-2-3-4-5-6-12-7-8-13(10-12)9-11(14,21(15,16)17)22(18,19)20/h7-8,10,14H,2-6,9H2,1H3,(H3-,15,16,17,18,19,20)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428290
PNG
(CHEMBL2338354)
Show SMILES CCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C7H14N2O7P2/c1-2-8-3-4-9(6-8)5-7(10,17(11,12)13)18(14,15)16/h3-4,6,10H,2,5H2,1H3,(H3-,11,12,13,14,15,16)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428297
PNG
(CHEMBL2338361)
Show SMILES CCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C14H28N2O7P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(17,24(18,19)20)25(21,22)23/h10-11,13,17H,2-9,12H2,1H3,(H3-,18,19,20,21,22,23)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12578
PNG
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)
Show SMILES OC(Cn1ccnc1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14)
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n/an/a 130n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428308
PNG
(CHEMBL2338372)
Show SMILES CCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C9H18N2O6P2/c1-2-3-4-10-5-6-11(8-10)7-9(18(12,13)14)19(15,16)17/h5-6,8-9H,2-4,7H2,1H3,(H3-,12,13,14,15,16,17)
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n/an/a 130n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428304
PNG
(CHEMBL2338368)
Show SMILES OP(O)(=O)C(C[n+]1cc[nH]c1)P(O)([O-])=O
Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H4,8,9,10,11,12,13)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428315
PNG
(CHEMBL2338379)
Show SMILES CCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C16H32N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-18(15-17)14-16(25(19,20)21)26(22,23)24/h12-13,15-16H,2-11,14H2,1H3,(H3-,19,20,21,22,23,24)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428307
PNG
(CHEMBL2338371)
Show SMILES CCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C8H16N2O6P2/c1-2-3-9-4-5-10(7-9)6-8(17(11,12)13)18(14,15)16/h4-5,7-8H,2-3,6H2,1H3,(H3-,11,12,13,14,15,16)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428289
PNG
(CHEMBL2338353)
Show SMILES Cn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C6H12N2O7P2/c1-7-2-3-8(5-7)4-6(9,16(10,11)12)17(13,14)15/h2-3,5,9H,4H2,1H3,(H3-,10,11,12,13,14,15)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428312
PNG
(CHEMBL2338376)
Show SMILES CCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C13H26N2O6P2/c1-2-3-4-5-6-7-8-14-9-10-15(12-14)11-13(22(16,17)18)23(19,20)21/h9-10,12-13H,2-8,11H2,1H3,(H3-,16,17,18,19,20,21)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428291
PNG
(CHEMBL2338355)
Show SMILES CCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C8H16N2O7P2/c1-2-3-9-4-5-10(7-9)6-8(11,18(12,13)14)19(15,16)17/h4-5,7,11H,2-3,6H2,1H3,(H3-,12,13,14,15,16,17)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428304
PNG
(CHEMBL2338368)
Show SMILES OP(O)(=O)C(C[n+]1cc[nH]c1)P(O)([O-])=O
Show InChI InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)3-7-2-1-6-4-7/h1-2,4-5H,3H2,(H4,8,9,10,11,12,13)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428305
PNG
(CHEMBL2338369)
Show SMILES Cn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C6H12N2O6P2/c1-7-2-3-8(5-7)4-6(15(9,10)11)16(12,13)14/h2-3,5-6H,4H2,1H3,(H3-,9,10,11,12,13,14)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428306
PNG
(CHEMBL2338370)
Show SMILES CCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C7H14N2O6P2/c1-2-8-3-4-9(6-8)5-7(16(10,11)12)17(13,14)15/h3-4,6-7H,2,5H2,1H3,(H3-,10,11,12,13,14,15)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428311
PNG
(CHEMBL2338375)
Show SMILES CCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C12H24N2O6P2/c1-2-3-4-5-6-7-13-8-9-14(11-13)10-12(21(15,16)17)22(18,19)20/h8-9,11-12H,2-7,10H2,1H3,(H3-,15,16,17,18,19,20)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428305
PNG
(CHEMBL2338369)
Show SMILES Cn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C6H12N2O6P2/c1-7-2-3-8(5-7)4-6(15(9,10)11)16(12,13)14/h2-3,5-6H,4H2,1H3,(H3-,9,10,11,12,13,14)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428309
PNG
(CHEMBL2338373)
Show SMILES CCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C10H20N2O6P2/c1-2-3-4-5-11-6-7-12(9-11)8-10(19(13,14)15)20(16,17)18/h6-7,9-10H,2-5,8H2,1H3,(H3-,13,14,15,16,17,18)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428310
PNG
(CHEMBL2338374)
Show SMILES CCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C11H22N2O6P2/c1-2-3-4-5-6-12-7-8-13(10-12)9-11(20(14,15)16)21(17,18)19/h7-8,10-11H,2-6,9H2,1H3,(H3-,14,15,16,17,18,19)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428299
PNG
(CHEMBL2338363)
Show SMILES CCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C16H32N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-18(15-17)14-16(19,26(20,21)22)27(23,24)25/h12-13,15,19H,2-11,14H2,1H3,(H3-,20,21,22,23,24,25)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428298
PNG
(CHEMBL2338362)
Show SMILES CCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C15H30N2O7P2/c1-2-3-4-5-6-7-8-9-10-16-11-12-17(14-16)13-15(18,25(19,20)21)26(22,23)24/h11-12,14,18H,2-10,13H2,1H3,(H3-,19,20,21,22,23,24)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428315
PNG
(CHEMBL2338379)
Show SMILES CCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C16H32N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-18(15-17)14-16(25(19,20)21)26(22,23)24/h12-13,15-16H,2-11,14H2,1H3,(H3-,19,20,21,22,23,24)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428316
PNG
(CHEMBL2338380)
Show SMILES CCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H34N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(16-18)15-17(26(20,21)22)27(23,24)25/h13-14,16-17H,2-12,15H2,1H3,(H3-,20,21,22,23,24,25)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428299
PNG
(CHEMBL2338363)
Show SMILES CCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C16H32N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-17-12-13-18(15-17)14-16(19,26(20,21)22)27(23,24)25/h12-13,15,19H,2-11,14H2,1H3,(H3-,20,21,22,23,24,25)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428317
PNG
(CHEMBL2338381)
Show SMILES CCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C18H36N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20(17-19)16-18(27(21,22)23)28(24,25)26/h14-15,17-18H,2-13,16H2,1H3,(H3-,21,22,23,24,25,26)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428316
PNG
(CHEMBL2338380)
Show SMILES CCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H34N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(16-18)15-17(26(20,21)22)27(23,24)25/h13-14,16-17H,2-12,15H2,1H3,(H3-,20,21,22,23,24,25)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428317
PNG
(CHEMBL2338381)
Show SMILES CCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C18H36N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20(17-19)16-18(27(21,22)23)28(24,25)26/h14-15,17-18H,2-13,16H2,1H3,(H3-,21,22,23,24,25,26)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428300
PNG
(CHEMBL2338364)
Show SMILES CCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H34N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(16-18)15-17(20,27(21,22)23)28(24,25)26/h13-14,16,20H,2-12,15H2,1H3,(H3-,21,22,23,24,25,26)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428300
PNG
(CHEMBL2338364)
Show SMILES CCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C17H34N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-18-13-14-19(16-18)15-17(20,27(21,22)23)28(24,25)26/h13-14,16,20H,2-12,15H2,1H3,(H3-,21,22,23,24,25,26)
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PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428319
PNG
(CHEMBL2338382)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C19H38N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(28(22,23)24)29(25,26)27/h15-16,18-19H,2-14,17H2,1H3,(H3-,22,23,24,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428301
PNG
(CHEMBL2338365)
Show SMILES CCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C18H36N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20(17-19)16-18(21,28(22,23)24)29(25,26)27/h14-15,17,21H,2-13,16H2,1H3,(H3-,22,23,24,25,26,27)
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n/an/a 2.70E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428319
PNG
(CHEMBL2338382)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C19H38N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(28(22,23)24)29(25,26)27/h15-16,18-19H,2-14,17H2,1H3,(H3-,22,23,24,25,26,27)
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n/an/a 3.00E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428302
PNG
(CHEMBL2338366)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C19H38N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(22,29(23,24)25)30(26,27)28/h15-16,18,22H,2-14,17H2,1H3,(H3-,23,24,25,26,27,28)
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n/an/a 3.20E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428301
PNG
(CHEMBL2338365)
Show SMILES CCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C18H36N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-19-14-15-20(17-19)16-18(21,28(22,23)24)29(25,26)27/h14-15,17,21H,2-13,16H2,1H3,(H3-,22,23,24,25,26,27)
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n/an/a 4.20E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428318
PNG
(CHEMBL2338383)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(29(23,24)25)30(26,27)28/h16-17,19-20H,2-15,18H2,1H3,(H3-,23,24,25,26,27,28)
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n/an/a 4.50E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428303
PNG
(CHEMBL2338367)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)
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n/an/a 7.10E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428318
PNG
(CHEMBL2338383)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(29(23,24)25)30(26,27)28/h16-17,19-20H,2-15,18H2,1H3,(H3-,23,24,25,26,27,28)
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n/an/a 8.30E+3n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428302
PNG
(CHEMBL2338366)
Show SMILES CCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C19H38N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-15-16-21(18-20)17-19(22,29(23,24)25)30(26,27)28/h15-16,18,22H,2-14,17H2,1H3,(H3-,23,24,25,26,27,28)
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n/an/a 4.20E+4n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50428303
PNG
(CHEMBL2338367)
Show SMILES CCCCCCCCCCCCCCCn1cc[n+](CC(O)(P(O)(O)=O)P(O)([O-])=O)c1
Show InChI InChI=1S/C20H40N2O7P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-16-17-22(19-21)18-20(23,30(24,25)26)31(27,28)29/h16-17,19,23H,2-15,18H2,1H3,(H3-,24,25,26,27,28,29)
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n/an/a 6.00E+4n/an/an/an/an/an/a



PrenylX Research Institute

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphos...


ACS Med Chem Lett 4: 423-427 (2013)


Article DOI: 10.1021/ml4000436
BindingDB Entry DOI: 10.7270/Q2KP83GB
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%