ChEMBL ligand: CHEMBL923 (Acide risedronique, Acido risedronico, M05BA07, Ridron, Risedronate, Risedronic acid)
butyrophilin subfamily 3 member A1/Butyrophilin subfamily 3 member A1 in Human [ChEMBL: CHEMBL4105758] [GtoPdb: 2948] [UniProtKB: O00481] There should be some charts here, you may need to enable JavaScript!
Farnesyl diphosphate synthase in Trypanosoma cruzi [ChEMBL: CHEMBL4752] [UniProtKB: Q8WS26] Farnesyl diphosphate synthase in Toxoplasma gondii [ChEMBL: CHEMBL5831] [UniProtKB: Q197X6] There should be some charts here, you may need to enable JavaScript!
Farnesyl pyrophosphate synthase in Leishmania donovani [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7] Farnesyl pyrophosphate synthase in Leishmania major [ChEMBL: CHEMBL2150832] [UniProtKB: Q4QBL1] farnesyl diphosphate synthase/Farnesyl pyrophosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324] There should be some charts here, you may need to enable JavaScript!
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749] There should be some charts here, you may need to enable JavaScript!
Plasmodium berghei [ChEMBL: CHEMBL612653] There should be some charts here, you may need to enable JavaScript!
Plasmodium falciparum [ChEMBL: CHEMBL364] There should be some charts here, you may need to enable JavaScript!

DB	Assay description	Assay Type	Standard value	Standard parameter	Original value	Original units	Original parameter	Reference
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 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]
farnesyl diphosphate synthase/Farnesyl pyrophosphate 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]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthase 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]
ChEMBL	In Vitro hGGPPS Inhibition Assay: The assay was based on a literature procedure (Kavanagh, et al. J. Biol. Chem., 2006, 281, 22004-22012) with minor modifications. All assays were run in triplicate using recombinant human GGPPS (80 ng), FPP (10 μM), IPP (8.3 μM; 3H-IPP, 40 mCi/mmoL) in a final volume of 100 μL buffer containing 50 mM Tris pH 7.7, 2 mM MgCl2, 1 mM TCEP, 5 μg/mL BSA and 0.2% (w/v) Tween 20. The enzyme and test compound were pre-incubated in the assay buffer in a volume of 80 μL at 37° C. for 10 mins. Afterwards, the substrates (FPP, IPP) were added to start the reaction, which also bring the compound, substrate, and buffer contents to the desired final concentrations as indicated above. The assay mixture was then incubated at 37° C. for 15 mins (Note: the incubation time is based from the curve determined each time a new batch of enzyme is produced). Assays were terminated by the addition of 200 μL of HCl/MeOH (1:4) and incubated for 10 min at 37° C. The mixture was then extracted with 700 μL of petroleum ether, dried through a plug of anhydrous Mg2SO4 and 300 μL of the dried ligroin phase was combined with 8 mL of scintillation cocktail. Finally, the radioactivity was counted using a Beckman Coulter LS6500 liquid scintillation counter.	B	5.3	pIC50	>5000	nM	IC50	US-11279719-B2. Substituted bicyclic pyrimidine-based compounds and compositions and uses thereof (2022)
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 36:

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]