NE11808 [Ligand Id: 3160] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL294192 (NE11808)
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
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  • Farnesyl pyrophosphate synthase in Leishmania donovani [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
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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]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 7.43 pKi 36.9 nM Ki J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 7.43 pKi 36.9 nM Ki J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand B 7.8 pKi 16 nM Ki J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 8.64 pKi 2.3 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 - 8.64 pKi 2.3 nM Ki J Med Chem (2008) 51: 2187-95 [PMID:18327899]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 6.72 pIC50 190.1 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 6.72 pIC50 190.1 nM IC50 J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 6.77 pIC50 170 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 6.77 pIC50 169.82 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 - 7.82 pIC50 15 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 7.82 pIC50 15 nM IC50 J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
Farnesyl pyrophosphate synthase in Leishmania donovani (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
ChEMBL Inhibitory activity against Leishmania major Farnesyl diphosphate synthase B 6.77 pIC50 170 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Growth inhibition of Plasmodium falciparum F 4.55 pIC50 28000 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL Growth inhibition of Plasmodium falciparum F 4.6 pIC50 25118.86 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL In vitro growth inhibition against Plasmodium falciparum F 4.77 pIC50 17000 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
ChEMBL Antimicrobial activity against Plasmodium falciparum F 4.77 pIC50 17000 nM IC50 Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316]

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]