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ChEMBL ligand: CHEMBL923 (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 | Inhibition of FDPS (unknown origin) | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126757-126757 [PMID:31699606] |
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 | 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 FDPS (unknown origin) | B | 8.22 | pIC50 | 6 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 2331-2334 [PMID:25935643] |
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] |
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] |
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 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]