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Found 834 hits Enz. Inhib. hit(s) with Target = 'Farnesyl diphosphate synthase'   
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))
BDBM36500
PNG
(2-(5-Chlorobenzo[b]thiophen-3-yl)acetic acid, 1 | ...)
Show SMILES OC(=O)Cc1csc2ccc(Cl)cc12
Show InChI InChI=1S/C10H7ClO2S/c11-7-1-2-9-8(4-7)6(5-14-9)3-10(12)13/h1-2,4-5H,3H2,(H,12,13)
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n/an/a>5.00E+5n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97439
PNG
(76527, 23)
Show SMILES Oc1cc(NC(=O)c2ccc(cc2)C(=O)Nc2ccc(C3=NCCN3)c(O)c2)ccc1C1=NCCN1
Show InChI InChI=1S/C26H24N6O4/c33-21-13-17(5-7-19(21)23-27-9-10-28-23)31-25(35)15-1-2-16(4-3-15)26(36)32-18-6-8-20(22(34)14-18)24-29-11-12-30-24/h1-8,13-14,33-34H,9-12H2,(H,27,28)(H,29,30)(H,31,35)(H,32,36)
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n/an/a 3.50E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36502
PNG
(2-(6-Methoxybenzofuran-3-yl)acetic acid, 3 | CID73...)
Show SMILES COc1ccc2c(CC(O)=O)coc2c1
Show InChI InChI=1S/C11H10O4/c1-14-8-2-3-9-7(4-11(12)13)6-15-10(9)5-8/h2-3,5-6H,4H2,1H3,(H,12,13)
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n/an/a>5.00E+5n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36503
PNG
((S)-1-((Benzyloxy)carbonyl)indoline-2-carboxylic a...)
Show SMILES OC(=O)[C@@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m0/s1
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n/an/a>5.00E+5n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36504
PNG
(2-(4-Chlorobenzo[b]thiophen-2-yl)propanoic acid, 5...)
Show SMILES CC(C(O)=O)c1cc2c(Cl)cccc2s1
Show InChI InChI=1S/C11H9ClO2S/c1-6(11(13)14)10-5-7-8(12)3-2-4-9(7)15-10/h2-6H,1H3,(H,13,14)
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n/an/a 8.00E+4n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36505
PNG
(2-(3-Chlorobenzo[b]thiophen-2-yl)acetic acid, 6 | ...)
Show SMILES OC(=O)Cc1sc2ccccc2c1Cl
Show InChI InChI=1S/C10H7ClO2S/c11-10-6-3-1-2-4-7(6)14-8(10)5-9(12)13/h1-4H,5H2,(H,12,13)
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n/an/a 1.20E+4n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36506
PNG
(2-(Naphtho[2,1-b]thiophen-1-yl)acetic acid, 7 | CI...)
Show SMILES OC(=O)Cc1csc2ccc3ccccc3c12
Show InChI InChI=1S/C14H10O2S/c15-13(16)7-10-8-17-12-6-5-9-3-1-2-4-11(9)14(10)12/h1-6,8H,7H2,(H,15,16)
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n/an/a 7.00E+3n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36507
PNG
((R)-1-(benzyloxycarbonyl)indoline-2-carboxylic aci...)
Show SMILES OC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc1ccccc1
Show InChI InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1
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n/an/a 5.00E+4n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36508
PNG
(3-(Carboxymethyl)-4,7-dichloro-1H-indole-2-carboxy...)
Show SMILES OC(=O)Cc1c([nH]c2c(Cl)ccc(Cl)c12)C(O)=O
Show InChI InChI=1S/C11H7Cl2NO4/c12-5-1-2-6(13)10-8(5)4(3-7(15)16)9(14-10)11(17)18/h1-2,14H,3H2,(H,15,16)(H,17,18)
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n/an/a 2.00E+3n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36509
PNG
(3-(Carboxymethyl)-5,7-dichloro-1H-indole-2-carboxy...)
Show SMILES OC(=O)Cc1c([nH]c2c(Cl)cc(Cl)cc12)C(O)=O
Show InChI InChI=1S/C11H7Cl2NO4/c12-4-1-5-6(3-8(15)16)10(11(17)18)14-9(5)7(13)2-4/h1-2,14H,3H2,(H,15,16)(H,17,18)
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n/an/a 6.00E+3n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36510
PNG
(1-(Carboxymethyl)-1H-benzo[g]indole-2-carboxylic a...)
Show SMILES OC(=O)Cn1c(cc2ccc3ccccc3c12)C(O)=O
Show InChI InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
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n/an/a 200n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36511
PNG
(5-((2-Carboxy-1H-benzo[g]indol-1-yl)methyl)isoxazo...)
Show SMILES OC(=O)c1cc(Cn2c(cc3ccc4ccccc4c23)C(O)=O)on1
Show InChI InChI=1S/C18H12N2O5/c21-17(22)14-8-12(25-19-14)9-20-15(18(23)24)7-11-6-5-10-3-1-2-4-13(10)16(11)20/h1-8H,9H2,(H,21,22)(H,23,24)
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n/an/a 80n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97429
PNG
(60340, 13)
Show SMILES O[NH+]([O-])c1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H25N7O4/c34-25(31-19-6-1-16(2-7-19)23-27-11-12-28-23)18-5-10-21(22(15-18)33(36)37)26(35)32-20-8-3-17(4-9-20)24-29-13-14-30-24/h1-10,15,33,36H,11-14H2,(H,27,28)(H,29,30)(H,31,34)(H,32,35)
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n/an/a 1.09E+5n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97430
PNG
(50460, 14 | BPH-1358)
Show SMILES O=C(Nc1cccc(c1)C1=NCCN1)c1ccc(cc1)-c1ccc(cc1)C(=O)Nc1cccc(c1)C1=NCCN1
Show InChI InChI=1S/C32H28N6O2/c39-31(37-27-5-1-3-25(19-27)29-33-15-16-34-29)23-11-7-21(8-12-23)22-9-13-24(14-10-22)32(40)38-28-6-2-4-26(20-28)30-35-17-18-36-30/h1-14,19-20H,15-18H2,(H,33,34)(H,35,36)(H,37,39)(H,38,40)
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n/an/a 1.80E+3n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97431
PNG
(53212, 15)
Show SMILES O=C(Nc1ccc(cc1)C1=NCCN1)c1cccc(c1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H24N6O2/c33-25(31-21-8-4-17(5-9-21)23-27-12-13-28-23)19-2-1-3-20(16-19)26(34)32-22-10-6-18(7-11-22)24-29-14-15-30-24/h1-11,16H,12-15H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
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n/an/a 1.90E+3n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97432
PNG
(66761, 16)
Show SMILES CC1CNC(=N1)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(cc3)C3=NC(C)CN3)c(N)c2)cc1
Show InChI InChI=1S/C28H29N7O2/c1-16-14-30-25(32-16)18-3-8-21(9-4-18)34-27(36)20-7-12-23(24(29)13-20)28(37)35-22-10-5-19(6-11-22)26-31-15-17(2)33-26/h3-13,16-17H,14-15,29H2,1-2H3,(H,30,32)(H,31,33)(H,34,36)(H,35,37)
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n/an/a 2.50E+3n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97433
PNG
(35844, 17)
Show SMILES O=C(Nc1ccccc1C1=NCCN1)c1ccc(cc1)C(=O)Nc1ccccc1C1=NCCN1
Show InChI InChI=1S/C26H24N6O2/c33-25(31-21-7-3-1-5-19(21)23-27-13-14-28-23)17-9-11-18(12-10-17)26(34)32-22-8-4-2-6-20(22)24-29-15-16-30-24/h1-12H,13-16H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
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n/an/a 7.00E+3n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97434
PNG
(100873, 18 | BPH-1375)
Show SMILES NC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(N)=O)cc(c1)C1=NCCN1
Show InChI InChI=1S/C28H26N8O4/c29-23(37)17-9-19(25-31-5-6-32-25)13-21(11-17)35-27(39)15-1-2-16(4-3-15)28(40)36-22-12-18(24(30)38)10-20(14-22)26-33-7-8-34-26/h1-4,9-14H,5-8H2,(H2,29,37)(H2,30,38)(H,31,32)(H,33,34)(H,35,39)(H,36,40)
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n/an/a 1.07E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97435
PNG
(35839, 19)
Show SMILES O=C(Nc1cccc(c1)C1=NCCN1)c1ccc(cc1)C(=O)Nc1cccc(c1)C1=NCCN1
Show InChI InChI=1S/C26H24N6O2/c33-25(31-21-5-1-3-19(15-21)23-27-11-12-28-23)17-7-9-18(10-8-17)26(34)32-22-6-2-4-20(16-22)24-29-13-14-30-24/h1-10,15-16H,11-14H2,(H,27,28)(H,29,30)(H,31,33)(H,32,34)
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n/an/a 1.37E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97436
PNG
(50469, 20)
Show SMILES Nc1cc(ccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H25N7O2/c27-22-15-18(25(34)32-19-6-1-16(2-7-19)23-28-11-12-29-23)5-10-21(22)26(35)33-20-8-3-17(4-9-20)24-30-13-14-31-24/h1-10,15H,11-14,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 2.03E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97437
PNG
(50464, 21)
Show SMILES Nc1cc(ccc1C(=O)Nc1cccc(c1)C1=NCCN1)C(=O)Nc1cccc(c1)C1=NCCN1
Show InChI InChI=1S/C26H25N7O2/c27-22-15-18(25(34)32-19-5-1-3-16(13-19)23-28-9-10-29-23)7-8-21(22)26(35)33-20-6-2-4-17(14-20)24-30-11-12-31-24/h1-8,13-15H,9-12,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 2.10E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM97438
PNG
(72564, 22)
Show SMILES Nc1c(cccc1C(=O)Nc1ccc(cc1)C1=NCCN1)C(=O)Nc1ccc(cc1)C1=NCCN1
Show InChI InChI=1S/C26H25N7O2/c27-22-20(25(34)32-18-8-4-16(5-9-18)23-28-12-13-29-23)2-1-3-21(22)26(35)33-19-10-6-17(7-11-19)24-30-14-15-31-24/h1-11H,12-15,27H2,(H,28,29)(H,30,31)(H,32,34)(H,33,35)
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n/an/a 2.23E+4n/an/an/an/a7.425



University of California San Diego



Assay Description
Human FPPS was expressed and purified and inhibition assays carried out as described previously.


Chem Biol Drug Des 81: 742-8 (2013)


Article DOI: 10.1111/cbdd.12121
BindingDB Entry DOI: 10.7270/Q29S1PPZ
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM36501
PNG
(2-(5-chloro-3-methylbenzo[b]thiophen-2-yl)acetic a...)
Show SMILES Cc1c(CC(O)=O)sc2ccc(Cl)cc12
Show InChI InChI=1S/C11H9ClO2S/c1-6-8-4-7(12)2-3-9(8)15-10(6)5-11(13)14/h2-4H,5H2,1H3,(H,13,14)
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n/an/a>5.00E+5n/an/an/an/a7.423



Novartis Institutes for Biomedical Research



Assay Description
A biophysical assay using NMR spectroscopy to identify fragments with higher binding affinity to human recombinant FPPS.


Nat Chem Biol 6: 660-6 (2010)


Article DOI: 10.1038/nchembio.421
BindingDB Entry DOI: 10.7270/Q2KP80HJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.0700n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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0.360n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50098378
PNG
((1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosp...)
Show SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
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0.740n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373094
PNG
(CHEMBL408608)
Show SMILES CC1CCCN=C1N=C(P(O)(O)O)P(O)(O)=O
Show InChI InChI=1S/C7H16N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h5,10-12,16H,2-4H2,1H3,(H2,13,14,15)
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1n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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1.09n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373098
PNG
(CHEMBL259729)
Show SMILES OC(CC1CCCCN1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H17NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h6,8-9H,1-5H2,(H2,10,11,12)(H2,13,14,15)
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1.60n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50115106
PNG
(2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic a...)
Show SMILES OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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2.30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50115104
PNG
((pyridin-2-ylamino)methylenediphosphonic acid | 2-...)
Show SMILES OP(O)(=O)C(Nc1ccccn1)P(O)(O)=O
Show InChI InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-3-1-2-4-7-5/h1-4,6H,(H,7,8)(H2,9,10,11)(H2,12,13,14)
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2.30n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373097
PNG
(CHEMBL406820)
Show SMILES OP(O)(=O)C(CC1CCCCN1)P(O)(O)=O
Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h6-8H,1-5H2,(H2,9,10,11)(H2,12,13,14)
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3.28n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50173792
PNG
(2-(2-aminophenyl)-1-hydroxyethane-1,1-diyldiphosph...)
Show SMILES Nc1ccccc1CC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H13NO7P2/c9-7-4-2-1-3-6(7)5-8(10,17(11,12)13)18(14,15)16/h1-4,10H,5,9H2,(H2,11,12,13)(H2,14,15,16)
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3.40n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM12577
PNG
(Bisphosphonate 2 | CHEMBL997 | JMC515594 Compound ...)
Show SMILES CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C9H23NO7P2/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17)
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3.60n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373099
PNG
(CHEMBL99553 | NE-10575)
Show SMILES C[n+]1cccc(CC(O)(P(O)(O)=O)P(O)(O)=O)c1
Show InChI InChI=1S/C8H13NO7P2/c1-9-4-2-3-7(6-9)5-8(10,17(11,12)13)18(14,15)16/h2-4,6,10H,5H2,1H3,(H3-,11,12,13,14,15,16)/p+1
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3.90n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373096
PNG
(CHEMBL99369 | Piridronic acid)
Show SMILES OP(O)(=O)C(Cc1ccccn1)P(O)(O)=O
Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)5-6-3-1-2-4-8-6/h1-4,7H,5H2,(H2,9,10,11)(H2,12,13,14)
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4.45n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC(=O)P(O)(O)=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
Assay using farnesyl-ras-CVLS as the protein acceptor substrate.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50059860
PNG
(((2E,6E)-1-Hydroxy-3,7,11-trimethyl-dodeca-2,6,10-...)
Show SMILES CC(CC\C=C(/C)CCC=C(C)C)CC(=O)P(O)(O)=O
Show InChI InChI=1S/C15H27O4P/c1-12(2)7-5-8-13(3)9-6-10-14(4)11-15(16)20(17,18)19/h7,9,14H,5-6,8,10-11H2,1-4H3,(H2,17,18,19)/b13-9+
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories



Assay Description
FPTase activity was assayed in the biosynthetically forward direction at 30C.


Biochemistry 31: 3800-7 (1992)


Article DOI: 10.1021/bi00130a010
BindingDB Entry DOI: 10.7270/Q2MP51XH
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50138725
PNG
((1-phosphono-2-pyridin-3-yl-ethyl)-phosphonic acid...)
Show SMILES OP(O)(=O)C(Cc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C7H11NO6P2/c9-15(10,11)7(16(12,13)14)4-6-2-1-3-8-5-6/h1-3,5,7H,4H2,(H2,9,10,11)(H2,12,13,14)
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7.40n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl pyrophosphate synthase


(Plasmodium falciparum (isolate 3D7))
BDBM25299
PNG
(1-(2-hydrogen phosphonato-2-hydroxy-2-phosphonoeth...)
Show SMILES OC(C[n+]1cccc(c1)-c1ccccc1)(P(O)(O)=O)P(O)([O-])=O
Show InChI InChI=1S/C13H15NO7P2/c15-13(22(16,17)18,23(19,20)21)10-14-8-4-7-12(9-14)11-5-2-1-3-6-11/h1-9,15H,10H2,(H3-,16,17,18,19,20,21)
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9n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards Farnesyl diphosphate synthase from leishmania major


J Med Chem 48: 2957-63 (2005)


Article DOI: 10.1021/jm040209d
BindingDB Entry DOI: 10.7270/Q2Z89D7K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50115115
PNG
((Cyclohexylamino-phosphono-methyl)-phosphonic acid...)
Show SMILES OP(O)(O)C(=NC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6,9-11,15H,1-5H2,(H2,12,13,14)
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PubMed
10n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135836
PNG
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)
Show SMILES OC(C[n+]1cc[nH]c1)(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,(H4,9,10,11,12,13,14)/p+1
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PubMed
10n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Farnesyl pyrophosphate synthase


(Plasmodium falciparum (isolate 3D7))
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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11n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards Farnesyl diphosphate synthase from leishmania major


J Med Chem 48: 2957-63 (2005)


Article DOI: 10.1021/jm040209d
BindingDB Entry DOI: 10.7270/Q2Z89D7K
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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11n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50373093
PNG
(CHEMBL100154)
Show SMILES Cc1cccnc1NC(P(C)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C8H14N2O5P2/c1-6-4-3-5-9-7(6)10-8(16(2,11)12)17(13,14)15/h3-5,8H,1-2H3,(H,9,10)(H,11,12)(H2,13,14,15)
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PubMed
11.6n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50098390
PNG
((3-methylpyridin-2-ylamino)methylenediphosphonic a...)
Show SMILES Cc1cccnc1NC(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c1-5-3-2-4-8-6(5)9-7(16(10,11)12)17(13,14)15/h2-4,7H,1H3,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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12.1n/an/an/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FPPS expressed in Escherichia coli BL21


J Med Chem 51: 2187-95 (2008)


Article DOI: 10.1021/jm7015733
BindingDB Entry DOI: 10.7270/Q2W95B18
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50098378
PNG
((1-Hydroxy-1-phosphono-2-pyridin-2-yl-ethyl)-phosp...)
Show SMILES OC(Cc1ccccn1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)5-6-3-1-2-4-8-6/h1-4,9H,5H2,(H2,10,11,12)(H2,13,14,15)
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PubMed
14n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50135818
PNG
((pyridin-3-ylamino)methylenediphosphonic acid | 3-...)
Show SMILES OP(O)(=O)C(Nc1cccnc1)P(O)(O)=O
Show InChI InChI=1S/C6H10N2O6P2/c9-15(10,11)6(16(12,13)14)8-5-2-1-3-7-4-5/h1-4,6,8H,(H2,9,10,11)(H2,12,13,14)
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15n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50115106
PNG
(2-(pyridin-2-ylamino)ethane-1,1-diyldiphosphonic a...)
Show SMILES OP(O)(=O)C(CNc1ccccn1)P(O)(O)=O
Show InChI InChI=1S/C7H12N2O6P2/c10-16(11,12)7(17(13,14)15)5-9-6-3-1-2-4-8-6/h1-4,7H,5H2,(H,8,9)(H2,10,11,12)(H2,13,14,15)
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16n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
Farnesyl diphosphate synthase


(Homo sapiens (Human))
BDBM50115115
PNG
((Cyclohexylamino-phosphono-methyl)-phosphonic acid...)
Show SMILES OP(O)(O)C(=NC1CCCCC1)P(O)(O)=O
Show InChI InChI=1S/C7H17NO6P2/c9-15(10,11)7(16(12,13)14)8-6-4-2-1-3-5-6/h6,9-11,15H,1-5H2,(H2,12,13,14)
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16n/an/an/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand


J Med Chem 46: 5171-83 (2003)


Article DOI: 10.1021/jm0302344
BindingDB Entry DOI: 10.7270/Q24M93Z8
More data for this
Ligand-Target Pair
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