cimadronate [Ligand Id: 3174] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL56253 (YM-175)
  • 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 - 7.2 pKi 62.4 nM Ki J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 7.2 pKi 62.4 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]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins - 8 pKi 10 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 pKi 10 nM Ki J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 6.44 pIC50 365.6 nM IC50 J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
GtoPdb Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 - 6.44 pIC50 365.6 nM IC50 J Med Chem (2008) 51: 2187-95 [PMID:18327899]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 6.8 pIC50 160 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 6.8 pIC50 158.49 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 - 7.21 pIC50 61.1 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 7.21 pIC50 61.1 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 6.8 pIC50 160 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]

ChEMBL data shown on this page come from version 34:

Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]