NE21650 [Ligand Id: 3167] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL414849
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
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  • Vacuolar-type proton translocating pyrophosphatase 1 in Trypanosoma brucei [ChEMBL: CHEMBL4386] [UniProtKB: Q8MTZ4]
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  • isopentenyl-diphosphate Δ-isomerase 1 in Human [GtoPdb: 646] [UniProtKB: Q13907]
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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 7.19 pKi 64.6 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 - 7.19 pKi 64.6 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 8.47 pKi 3.4 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 - 8.47 pKi 3.4 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 - 6.43 pIC50 370.7 nM IC50 J. Med. Chem. (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 6.43 pIC50 370.7 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 7.67 pIC50 21.6 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 - 7.67 pIC50 21.6 nM IC50 J. Med. Chem. (2008) 51: 2187-95 [PMID:18327899]
Vacuolar-type proton translocating pyrophosphatase 1 in Trypanosoma brucei (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4386] [UniProtKB: Q8MTZ4]
ChEMBL Inhibition of recombinant Trypanosoma brucei soluble vacuolar pyrophosphatase expressed in Escherichia coli B 5.68 pIC50 2100 nM IC50 J. Med. Chem. (2005) 48: 6128-6139 [PMID:16162013]
isopentenyl-diphosphate Δ-isomerase 1 in Human [GtoPdb: 646] [UniProtKB: Q13907]
GtoPdb in vitro inhibition assay - 4.2 pIC50 ~70000 nM IC50 Biochem. Biophys. Res. Commun. (2002) 290: 869-73 [PMID:11785983]

ChEMBL data shown on this page come from version 27:

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]