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ChEMBL ligand: CHEMBL923 (Acide risedronique, Acido risedronico, Actonel, M05BA07, NE-58095, Ridron, Risedronate, Risedronic acid) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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butyrophilin subfamily 3 member A1/Butyrophilin subfamily 3 member A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105758] [GtoPdb: 2948] [UniProtKB: O00481] | ||||||||
ChEMBL | Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells | B | 7.1 | pEC50 | 80 | nM | EC50 | J Med Chem (2020) 63: 11258-11270 [PMID:32930595] |
Farnesyl diphosphate synthase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4752] [UniProtKB: Q8WS26] | ||||||||
ChEMBL | Inhibition of Trypanosoma cruzi FPPS after 30 mins using [14C]IPP by scintillation counting | B | 7.57 | pIC50 | 27 | nM | IC50 | Bioorg Med Chem (2011) 19: 2211-2217 [PMID:21419634] |
ChEMBL | Inhibition of Trypanosoma cruzi farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC | B | 7.57 | pIC50 | 27 | nM | IC50 | Eur J Med Chem (2013) 60: 431-440 [PMID:23318904] |
Farnesyl diphosphate synthase in Toxoplasma gondii (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5831] [UniProtKB: Q197X6] | ||||||||
ChEMBL | Inhibition of Toxoplasma gondii FPPS after 30 mins using [14C]IPP by scintillation counting | B | 7.13 | pIC50 | 74 | nM | IC50 | Bioorg Med Chem (2011) 19: 2211-2217 [PMID:21419634] |
ChEMBL | Inhibition of Toxoplasma gondii farnesyl diphosphate synthase assessed as incorporation of [4-14C]IPP measured at 37 degC | B | 7.13 | pIC50 | 74 | nM | IC50 | Eur J Med Chem (2013) 60: 431-440 [PMID:23318904] |
ChEMBL | Inhibition of Toxoplasma gondii recombinant FPPS expressed in Escherichia coli using [4-14C]IPP/DMAPP/GPP as substrate after 30 mins by scintillation counting analysis | B | 7.13 | pIC50 | 74 | nM | IC50 | Bioorg Med Chem (2014) 22: 398-405 [PMID:24300918] |
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 | 7.09 | pKi | 82.2 | 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 | - | 7.09 | pKi | 82.2 | 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 | 7.8 | 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 | - | 9.44 | pKi | 0.36 | 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 | 9.44 | pKi | 0.36 | nM | Ki | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
ChEMBL | Inhibition of human recombinant N-terminal-His6 tagged FPPS expressed in Escherichia coli BL21 using [3H]IPP and GPP as substrate measured after 20 mins by liquid scintillation counting | B | 6.07 | pIC50 | 860 | nM | IC50 | J Med Chem (2012) 55: 3201-3215 [PMID:22390415] |
GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 6.34 | pIC50 | 452.9 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | B | 6.34 | pIC50 | 452.9 | nM | IC50 | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
ChEMBL | Inhibition of N-terminal His-tagged human FPPS expressed in Escherichia coli | B | 6.52 | pIC50 | 300 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 5781-5786 [PMID:20801032] |
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] |
ChEMBL | Inhibition of human FPPS in absence of pre-incubation of compound with enzyme | B | 7.09 | pIC50 | 82 | nM | IC50 | ACS Med Chem Lett (2015) 6: 349-354 [PMID:25815158] |
ChEMBL | Inhibition of recombinant human C-terminal His6-tagged FPPS expressed in Escherichia coli BL21 using DMAPP and IPP as substrates pretreated for 15 mins followed by substrates addition and measured after 1 hr by colorimetric method | B | 7.15 | pIC50 | 70 | nM | IC50 | Eur J Med Chem (2018) 158: 184-200 [PMID:30216851] |
ChEMBL | Inhibition of human FPPS | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 1117-1123 [PMID:25630225] |
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 | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2012) 55: 3201-3215 [PMID:22390415] |
ChEMBL | Inhibition of human His6-tagged recombinant FPPS expressed in Escherichia coli BL21(DE3) using GPP and [3H]IPP as substrate incubated for 5 mins prior to substrate addition measured after 20 mins by liquid scintillation counting | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem (2012) 20: 5583-5591 [PMID:22884353] |
ChEMBL | Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition by scintillation counting analysis | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2013) 56: 7939-7950 [PMID:23998921] |
GtoPdb | In vitro inhibition of recombinant human FDPS expressed in E.coli. | - | 8 | pIC50 | 10 | nM | IC50 | J Pharmacol Exp Ther (2001) 296: 235-42 [PMID:11160603] |
ChEMBL | Inhibitory activity against the human recombinant FPPSase (Farnesyl diphosphate) enzyme | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2002) 45: 2185-2196 [PMID:12014956] |
ChEMBL | Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation counting | B | 8 | pIC50 | 10 | nM | IC50 | J Med Chem (2011) 54: 5955-5980 [PMID:21780776] |
ChEMBL | Inhibition of FDPS (unknown origin) | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126757-126757 [PMID:31699606] |
ChEMBL | Allosteric inhibition of human recombinant FPPS using GPP and [3H]IPP as substrate incubated with enzyme for 10 mins prior to substrate addition by liquid scintillation counting analysis | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2014) 57: 5764-5776 [PMID:24911527] |
ChEMBL | Inhibition of FDPS (unknown origin) | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2331-2334 [PMID:25935643] |
GtoPdb | in vitro assay, inhibition of recombinant human enzyme expressed in E.coli | - | 8.24 | pIC50 | 5.7 | nM | IC50 | J Pharmacol Exp Ther (2001) 296: 235-42 [PMID:11160603] |
GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 8.24 | pIC50 | 5.7 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
ChEMBL | Inhibition of human FPPS | B | 8.24 | pIC50 | 5.7 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 2878-2882 [PMID:18434151] |
ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | B | 8.24 | pIC50 | 5.7 | nM | IC50 | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
ChEMBL | Inhibition of human recombinant FPPS using GPP/[3H]IPP as substrate incubated for 10 mins prior to substrate addition measured after 8 mins by scintillation counting analysis | B | 8.28 | pIC50 | 5.2 | nM | IC50 | J Med Chem (2013) 56: 7939-7950 [PMID:23998921] |
ChEMBL | Inhibition of human recombinant FPP synthase expressed in Escherichia coli S100 using FPP and IPP as substrates preincubated for 15 mins followed by substrate addition measured after 60 mins by scintillation counting analysis | B | 8.41 | pIC50 | 3.9 | nM | IC50 | J Med Chem (2021) 64: 9677-9710 [PMID:34236862] |
GtoPdb | - | - | 8.41 | pIC50 | 3.9 | nM | IC50 | Arch Biochem Biophys (2000) 373: 231-41 [PMID:10620343] |
ChEMBL | Inhibition of human FPPS using pre-incubation of compound with enzyme | B | 9.44 | pIC50 | 0.36 | nM | IC50 | ACS Med Chem Lett (2015) 6: 349-354 [PMID:25815158] |
Farnesyl pyrophosphate synthase in Leishmania donovani (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7] | ||||||||
ChEMBL | Binding affinity towards Farnesyl diphosphate synthase from leishmania major | B | 7.77 | pKi | 17 | nM | Ki | J Med Chem (2005) 48: 2957-2963 [PMID:15828834] |
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] |
ChEMBL | Inhibitory activity against FPPS in Leishmania major | B | 6.77 | pIC50 | 170 | nM | IC50 | J Med Chem (2006) 49: 215-223 [PMID:16392806] |
ChEMBL | Inhibitory activity against FPPS in Leishmania major | B | 6.77 | pIC50 | 169.82 | nM | IC50 | J Med Chem (2006) 49: 215-223 [PMID:16392806] |
Farnesyl pyrophosphate synthase in Leishmania major (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2150832] [UniProtKB: Q4QBL1] | ||||||||
ChEMBL | Inhibition of recombinant Leishmania major FPPS expressed in Escherichia coli BL21(DE3) using GPP and [14C]IPP as substrate incubated for 15 mins by scintillation counting method | B | 7.8 | pKi | 16 | nM | Ki | Bioorg Med Chem Lett (2020) 30: 127577-127577 [PMID:32979487] |
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749] | ||||||||
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 | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2012) 55: 3201-3215 [PMID:22390415] |
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653] | ||||||||
ChEMBL | Antimalarial activity against Plasmodium berghei NK65 infected in human HepG2 cells after 48 hrs by RT-PCR | F | 4.8 | pIC50 | 16000 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2987-2993 [PMID:20457823] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2mef assessed as suppression of parasitemia by microscopic analysis | F | 5.85 | pIC50 | 1400 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2987-2993 [PMID:20457823] |
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as suppression of parasitemia by microscopic analysis | F | 5.92 | pIC50 | 1200 | nM | IC50 | Antimicrob Agents Chemother (2010) 54: 2987-2993 [PMID:20457823] |
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]