NE58018 [Ligand Id: 3168] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL434024
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
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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 7.23 pKi 59.3 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 - 7.23 pKi 59.3 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 7.85 pKi 14 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 - 9.13 pKi 0.74 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 9.13 pKi 0.74 nM Ki J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 6.46 pIC50 349.1 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 - 6.46 pIC50 349.1 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 6.85 pIC50 141.25 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 6.85 pIC50 140 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 8.04 pIC50 9.2 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 - 8.04 pIC50 9.2 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human FPPS using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting B 8.4 pIC50 4 nM IC50 J Med Chem (2018) 61: 6904-6917 [PMID:30016091]
ChEMBL Inhibition of human FPPS expressed in Escherichia coli BL21 (DE3) preincubated for 10 mins in presence compound relative to control B 8.4 pIC50 4 nM IC50 J Med Chem (2022) 65: 2471-2496 [PMID:35077178]

ChEMBL data shown on this page come from version 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]