NE97220 [Ligand Id: 3171] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL55140
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
  • 7.96
1 CHEMBL55140_lig_chart_1 Farnesyl diphosphate synthase Human
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  • Farnesyl pyrophosphate synthase in Leishmania donovani [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
  • Farnesyl pyrophosphate synthase in Leishmania major [ChEMBL: CHEMBL2150832] [UniProtKB: Q4QBL1]
  • This target only has 1 pki data point
  • 7.96
2 CHEMBL55140_lig_chart_2 Farnesyl pyrophosphate synthase Leishmania donovaniLeishmania major
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  • Hexokinase in Trypanosoma cruzi [ChEMBL: CHEMBL4151] [UniProtKB: Q8ST54]
  • This target only has 0 pki data point
  • 0
3 CHEMBL55140_lig_chart_3 Hexokinase Trypanosoma cruzi
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 7.92 pKi 12.1 nM Ki J. Med. Chem. (2008) 51: 2187-2195 [PMID:18327899]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 7.92 pKi 12.1 nM Ki J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand B 7.96 pKi 11 nM Ki J. Med. Chem. (2003) 46: 5171-5183 [PMID:14613320]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 8.96 pKi 1.09 nM Ki J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 8.96 pKi 1.09 nM Ki J. Med. Chem. (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 6.95 pIC50 112.2 nM IC50 J. Med. Chem. (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 6.96 pIC50 110 nM IC50 J. Med. Chem. (2003) 46: 5171-5183 [PMID:14613320]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 7.12 pIC50 75.2 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 7.12 pIC50 75.2 nM IC50 J. Med. Chem. (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 8.21 pIC50 6.2 nM IC50 J. Med. Chem. (2008) 51: 2187-2195 [PMID:18327899]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 8.21 pIC50 6.2 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
Farnesyl pyrophosphate synthase in Leishmania donovani (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
ChEMBL Inhibitory activity against FPPS in Leishmania major B 6.95 pIC50 112.2 nM IC50 J. Med. Chem. (2006) 49: 215-223 [PMID:16392806]
ChEMBL Inhibitory activity against FPPS in Leishmania major B 6.95 pIC50 112 nM IC50 J. Med. Chem. (2006) 49: 215-223 [PMID:16392806]
Farnesyl pyrophosphate synthase in Leishmania major (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2150832] [UniProtKB: Q4QBL1]
ChEMBL Inhibition of Leishmania major FPPS B 7.96 pKi 11 nM Ki J. Med. Chem. (2011) 54: 5955-5980 [PMID:21780776]
Hexokinase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4151] [UniProtKB: Q8ST54]
ChEMBL Inhibitory activity against Trypanosoma cruzi hexokinase B 4.34 pIC50 45740 nM IC50 J. Med. Chem. (2006) 49: 215-223 [PMID:16392806]
ChEMBL Inhibitory activity against Trypanosoma cruzi hexokinase B 4.34 pIC50 45708.82 nM IC50 J. Med. Chem. (2006) 49: 215-223 [PMID:16392806]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]