Found 21 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 0.0700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM50135836
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)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 | PDB MMDB
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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| 85.9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 0.240 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign
Curated by ChEMBL
| Assay Description Negative logarithm of inhibitory concentration against bone resorption |
J Med Chem 46: 2932-44 (2003)
Article DOI: 10.1021/jm030054u BindingDB Entry DOI: 10.7270/Q2R78GHD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Wroclaw University of Technology
Curated by ChEMBL
| Assay Description Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation counting |
J Med Chem 54: 5955-80 (2011)
Article DOI: 10.1021/jm200587f BindingDB Entry DOI: 10.7270/Q2PV6MGF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by l... |
J Med Chem 57: 5764-76 (2014)
Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Academia Sinica
| Assay Description To measure the kinetic constants by radioactive assays, 0.2 μM wild-type E. coli OPPS and the wild-type or mutant S. cerevisiae GGPPS and human ... |
Biochemistry 55: 4366-74 (2016)
Article DOI: 10.1021/acs.biochem.6b00486 BindingDB Entry DOI: 10.7270/Q2BR8QZK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate incubated for 10 mi... |
J Med Chem 55: 3201-15 (2012)
Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human FPPS |
Bioorg Med Chem Lett 25: 1117-23 (2015)
Article DOI: 10.1016/j.bmcl.2014.12.089 BindingDB Entry DOI: 10.7270/Q25X2BMF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 4.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universita di Ferrara
Curated by ChEMBL
| Assay Description Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) |
J Med Chem 51: 6800-7 (2008)
Article DOI: 10.1021/jm801003y BindingDB Entry DOI: 10.7270/Q2F76CD8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Bari "A. Moro"
Curated by ChEMBL
| Assay Description Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mi... |
Eur J Med Chem 158: 184-200 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.044 BindingDB Entry DOI: 10.7270/Q2MS3WFV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM50135836
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)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 | PDB MMDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign
Curated by ChEMBL
| Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase was determined |
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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM50135836
(1-(2-Hydroxy-2,2-bis-phosphono-ethyl)-3H-imidazol-...)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 | PDB MMDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign
Curated by ChEMBL
| Assay Description Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) |
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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of FPPS (unknown origin) |
J Med Chem 57: 5764-76 (2014)
Article DOI: 10.1021/jm500629e BindingDB Entry DOI: 10.7270/Q2GH9KJR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign
Curated by ChEMBL
| Assay Description Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assay |
ACS Med Chem Lett 6: 349-54 (2015)
Article DOI: 10.1021/ml500528x BindingDB Entry DOI: 10.7270/Q2251KW1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 10 m... |
J Med Chem 55: 3201-15 (2012)
Article DOI: 10.1021/jm201657x BindingDB Entry DOI: 10.7270/Q29024V1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM12578
(2-(imidazol-1-yl)-1-hydroxyethylidene-1,1-bisphosp...)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) | PDB MMDB
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 475 | n/a | n/a | n/a | n/a | n/a | n/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 | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(348/348 = 100%)† (Homo sapiens (Human)) | BDBM36507
((R)-1-(benzyloxycarbonyl)indoline-2-carboxylic aci...)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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | 7.4 | 23 |
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 Structure (crystal) |