Found 23 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| 0.360 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 16 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| 82.2 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 0.360 | 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 using pre-incubation of compound with enzyme |
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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 5.20 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scinti... |
J Med Chem 56: 7939-50 (2013)
Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 5.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description Inhibition of human FPPS |
Bioorg Med Chem Lett 18: 2878-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.03.088 BindingDB Entry DOI: 10.7270/Q2WM1F9P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 5.70 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Iowa
Curated by ChEMBL
| Assay Description Inhibition of FDPS (unknown origin) |
Bioorg Med Chem Lett 25: 2331-4 (2015)
Article DOI: 10.1016/j.bmcl.2015.04.021 BindingDB Entry DOI: 10.7270/Q2M61MZN |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 10 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 10 | 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 the human recombinant FPPSase(Farnesyl diphosphate) enzyme |
J Med Chem 45: 2185-96 (2002)
BindingDB Entry DOI: 10.7270/Q2KH0MN1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | 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 [14C]IPP and GPP as substrate incubated for 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prio... |
Bioorg Med Chem 20: 5583-91 (2012)
Article DOI: 10.1016/j.bmc.2012.07.019 BindingDB Entry DOI: 10.7270/Q2J67J6M |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analy... |
J Med Chem 56: 7939-50 (2013)
Article DOI: 10.1021/jm400946f BindingDB Entry DOI: 10.7270/Q20V8F6B |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 70 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 82 | 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 in absence of pre-incubation of compound with enzyme |
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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 170 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 170 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
McGill University
Curated by ChEMBL
| Assay Description Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli |
Bioorg Med Chem Lett 20: 5781-6 (2010)
Article DOI: 10.1016/j.bmcl.2010.07.133 BindingDB Entry DOI: 10.7270/Q21G0MGG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Farnesyl pyrophosphate synthase
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 453 | 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
(352/354 > 99%)† (Homo sapiens (Human)) | BDBM12576
(Bisphosphonate 1 | CHEMBL923 | JMC515594 Compound ...)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 860 | 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 20 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) |