digeranyl bisphosphonate [Ligand Id: 3187] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL258994 (Digeranyl Bisphosphonate)
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
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  • geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
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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 N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [14C]IPP and GPP as substrate incubated for 10 mins prior to substrate addition measured after 10 mins by scintillation counting B 5 pIC50 >10000 nM IC50 J Med Chem (2012) 55: 3201-3215 [PMID:22390415]
ChEMBL Inhibition of human FPPS B 5 pIC50 >10000 nM IC50 Bioorg Med Chem (2013) 21: 2229-2240 [PMID:23477945]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
GtoPdb Inhibition of human recombinant geranylgeranyl diphosphate synthase - 6 pIC50 - - - J Med Chem (2008) 51: 5594-607 [PMID:18800762]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 6 pIC50 1000 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 6.01 pIC50 980 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
ChEMBL Inhibition of human N-terminal His6-tagged GGPPS Y246D mutant expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting B 6.23 pIC50 590 nM IC50 J Med Chem (2018) 61: 6904-6917 [PMID:30016091]
ChEMBL Inhibition of human N-terminal His6-tagged GGPPS expressed in Escherichia coli BL21(DE3) using [14C]-IPP and FPP as substrates after 10 mins by scintillation counting B 6.37 pIC50 430 nM IC50 J Med Chem (2018) 61: 6904-6917 [PMID:30016091]
ChEMBL Inhibition of human recombinant N-terminal His6 tagged GGPPS expressed in Escherichia coli BL21 using FPP and [14C]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting B 6.39 pIC50 410 nM IC50 J Med Chem (2012) 55: 3201-3215 [PMID:22390415]
ChEMBL Inhibition of recombinant GGDPS (unknown origin) assessed as decrease in radiolabeld GGPP level using FPP and [14C]IPP as substrate treated with enzyme for 10 mins prior to substrate challenge for 30 mins by liquid scintillation counting analysis B 6.7 pIC50 200 nM IC50 Bioorg Med Chem (2014) 22: 2791-2798 [PMID:24726306]
ChEMBL Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria B 6.7 pIC50 200 nM IC50 Bioorg Med Chem (2008) 16: 390-399 [PMID:17905588]
ChEMBL Inhibition of human recombinant GGDPS expressed in BL21 gold bacteria B 6.7 pIC50 200 nM IC50 Bioorg Med Chem (2008) 16: 3652-3660 [PMID:18308574]
GtoPdb recombinant human protein expressed in BL21 gold bacteria, purified, in vitro assay - 6.7 pIC50 200 nM IC50 Biochem Biophys Res Commun (2007) 353: 921-5 [PMID:17208200]

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]