zoledronic acid [Ligand Id: 3177] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL924 (Aclasta, AK-156, Anhydrous zoledronic acid, CGP 42446, CGP-42446, CGP-42446A, NSC-721517, Reclast, Zerlinda, Zoladrona acid mylan, Zoledronate, Zoledronate hydrate, Zoledronic, Zoledronic acid, Zoledronic acid accord, Zoledronic acid anhydrous, Zoledronic acid hydrate, Zoledronic acid medac, Zoledronic acid monohydrate, Zoledronic acid teva, Zometa) |
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| 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 | Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 15 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA | B | 4 | pEC50 | >100000 | nM | EC50 | ACS Med Chem Lett (2019) 10: 1284-1289 [PMID:31531198] |
| ChEMBL | Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 60 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA | B | 4.1 | pEC50 | 79000 | nM | EC50 | ACS Med Chem Lett (2019) 10: 1284-1289 [PMID:31531198] |
| ChEMBL | Activation of butyrophilin 3A1 in human K562 cells assessed as interferon-gamma production pretreated for 240 mins followed by HMBPP-treated Vgamma9Vdelta2 T cells addition and measured after 20 hrs by ELISA | B | 4.64 | pEC50 | 23000 | nM | EC50 | ACS Med Chem Lett (2019) 10: 1284-1289 [PMID:31531198] |
| ChEMBL | Binding affinity to BTN3A1 in human PBMC-derived Vgamma9/Vdelta2 T cells assessed as increase in CD69/CD25 level incubated for overnight by flow cytometric analysis | B | 5.51 | pEC50 | 3060 | nM | EC50 | J Med Chem (2020) 63: 11258-11270 [PMID:32930595] |
| ChEMBL | Binding affinity to butyrophilin 3A1 in human Vgamma9/Vdelta2 T-cells assessed as activation of Vgamma9/Vdelta2 T-cells by upregulation of CD69 and CD25 after 18 hrs | B | 6.31 | pEC50 | 486.6 | nM | EC50 | J Med Chem (2018) 61: 2111-2117 [PMID:29457898] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1941-1943 [PMID:24650641] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 pretreated for 15 mins by stopped flow CO2 hydrase assay | B | 5 | pIC50 | >10000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method | B | 7.21 | pIC50 | 62 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1941-1943 [PMID:24650641] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 pretreated for 15 mins by stopped flow CO2 hydrase assay | B | 7.21 | pIC50 | 62 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method | B | 5.27 | pIC50 | 5323 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1941-1943 [PMID:24650641] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 9 pretreated for 15 mins by stopped flow CO2 hydrase assay | B | 5.27 | pIC50 | 5323 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method | B | 6.5 | pIC50 | 316 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1941-1943 [PMID:24650641] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 pretreated for 15 mins by stopped flow CO2 hydrase assay | B | 6.5 | pIC50 | 316 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration method | B | 7.04 | pIC50 | 92 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1941-1943 [PMID:24650641] |
| ChEMBL | Inhibition of human recombinant carbonic anhydrase 14 pretreated for 15 mins by stopped flow CO2 hydrase assay | B | 7.04 | pIC50 | 92 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| 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 | 7.07 | pKi | 85.9 | 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 | - | 7.07 | pKi | 85.9 | 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 | - | 10.15 | pKi | 0.07 | 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 | 10.15 | pKi | 0.07 | nM | Ki | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| ChEMBL | Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP as substrate measured after 30 mins in presence of Mg2+ | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 6.32 | pIC50 | 475.3 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 | B | 6.32 | pIC50 | 475.3 | nM | IC50 | 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 10 mins by scintillation counting | B | 6.32 | pIC50 | 475 | nM | IC50 | J Med Chem (2012) 55: 3201-3215 [PMID:22390415] |
| ChEMBL | Inhibition of human FPPS using IPP and GPP | B | 6.6 | pIC50 | 250 | nM | IC50 | J Med Chem (2019) 62: 2564-2581 [PMID:30730737] |
| ChEMBL | Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using DMAPP and GPP as substrate | B | 6.66 | pIC50 | 220 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| ChEMBL | Inhibition of human FPPS pre-incubated for 30 mins using GPP and IPP by continuous spectrophotometric assay | B | 6.7 | pIC50 | 200 | nM | IC50 | ACS Med Chem Lett (2015) 6: 349-354 [PMID:25815158] |
| ChEMBL | Competitive inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using IPP as substrate | B | 6.76 | pIC50 | 173 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| ChEMBL | Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and [14C] IPP as substrate preincubated for 10 mins followed by substrate addition measured after 10 mins by scintillation counter method | B | 6.77 | pIC50 | 170 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| ChEMBL | Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) assessed as using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition in presence of 0.01 % Triton X-100 by continuous spectrophotometric assay | B | 6.85 | pIC50 | 140 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| ChEMBL | Binding affinity to human FPPS at 1 mM by X-ray crystallographic analysis | B | 6.89 | pIC50 | 130 | nM | IC50 | ACS Med Chem Lett (2013) 4: 423-427 [PMID:23610597] |
| ChEMBL | Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition in absence of 0.01 % Triton X-100 by continuous spectrophotometric assay | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| ChEMBL | Inhibition of His6-tagged human truncated FPPS (6-353) expressed in Escherichia coli BL21(DE3) cells using geranyl diphosphate and isopentenyl diphosphate as substrate preincubated with enzyme for 30 mins by spectrophotometric analysis | B | 7 | pIC50 | 100 | nM | IC50 | ACS Med Chem Lett (2013) 4: 423-427 [PMID:23610597] |
| ChEMBL | Inhibition of human N-terminal TEV protease cleavage site-fused-His6-tagged FPPS expressed in Escherichia coli BL21 (DE3) using GPP and IPP as substrate preincubated for 30 mins followed by substrate addition by continuous spectrophotometric assay | B | 7 | pIC50 | 100 | nM | IC50 | J Med Chem (2019) 62: 10867-10896 [PMID:31725297] |
| 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 | 7.22 | pIC50 | 60 | nM | IC50 | Eur J Med Chem (2018) 158: 184-200 [PMID:30216851] |
| ChEMBL | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | B | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2008) 51: 2187-2195 [PMID:18327899] |
| ChEMBL | Inhibition of human FPPS | B | 8.39 | pIC50 | 4.1 | 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 [3H]IPP and GPP as substrate incubated for 10 mins prior to substrate addition measured after 20 mins by liquid scintillation counting | B | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2012) 55: 3201-3215 [PMID:22390415] |
| ChEMBL | Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) | B | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2008) 51: 6800-6807 [PMID:18937434] |
| GtoPdb | Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins | - | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2008) 51: 2187-95 [PMID:18327899] |
| GtoPdb | Inhibition of human FPP synthase expressed in Escherichia coli BL21 (DE3) | - | 8.39 | pIC50 | 4.1 | nM | IC50 | J Med Chem (2008) 51: 6800-7 [PMID:18937434] |
| ChEMBL | Inhibition of recombinant human FPPS expressed in Escherichia coli by scintillation counting | B | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2011) 54: 5955-5980 [PMID:21780776] |
| 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 | 8.52 | pIC50 | 3 | nM | IC50 | J Med Chem (2014) 57: 5764-5776 [PMID:24911527] |
| ChEMBL | Inhibition of FDPS (unknown origin) | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem Lett (2019) 29: 126757-126757 [PMID:31699606] |
| ChEMBL | Inhibition of N-terminal His-tagged human FPPS (1 to 353 residues) expressed in Escherichia coli BL21 (DE3) pre-incubated for 10 mins before addition of GPP and [14C]-IPP by scintillation counting method | B | 8.7 | pIC50 | 2 | nM | IC50 | J Med Chem (2019) 62: 9691-9702 [PMID:31577901] |
| ChEMBL | Negative logarithm of inhibitory concentration against bone resorption | F | 9.62 | pIC50 | 0.24 | nM | IC50 | J Med Chem (2003) 46: 2932-2944 [PMID:12825934] |
| farnesyl diphosphate synthase in Rat [GtoPdb: 644] [UniProtKB: P05369] | ||||||||
| GtoPdb | in vitro using kidney cell lines | - | 6.3 | pIC50 | 500 | nM | IC50 | Toxicol In Vitro (2008) 22: 899-909 [PMID:18325729] |
| 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 | 7.96 | pKi | 11 | nM | Ki | J Med Chem (2005) 48: 2957-2963 [PMID:15828834] |
| ChEMBL | Inhibitory activity against Leishmania major Farnesyl diphosphate synthase | B | 6.96 | pIC50 | 110 | nM | IC50 | J Med Chem (2004) 47: 175-187 [PMID:14695831] |
| 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 | 8 | pKi | 10 | nM | Ki | Bioorg Med Chem Lett (2020) 30: 127577-127577 [PMID:32979487] |
| Geranylgeranyl pyrophosphate synthase in Saccharomyces cerevisiae S288c (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075251] [UniProtKB: Q12051] | ||||||||
| ChEMBL | Binding affinity to Saccharomyces cerevisiae GGPPS | B | 6.59 | pKi | 260 | nM | Ki | Proc Natl Acad Sci U S A (2007) 104: 10022-10027 [PMID:17535895] |
| ChEMBL | Inhibition of Saccharomyces cerevisiae GGPPS | B | 6.18 | pIC50 | 660 | nM | IC50 | Proc Natl Acad Sci U S A (2007) 104: 10022-10027 [PMID:17535895] |
| geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749] | ||||||||
| ChEMBL | Binding affinity to human GGPPS | B | 5.57 | pKi | 2700 | nM | Ki | Proc Natl Acad Sci U S A (2007) 104: 10022-10027 [PMID:17535895] |
| ChEMBL | Inhibition of GST-tagged human recombinant GGDPS expressed in BL21 gold bacteria | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2008) 16: 390-399 [PMID:17905588] |
| ChEMBL | Inhibition of human recombinant geranylgeranyl diphosphate synthase | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2008) 51: 5594-5607 [PMID:18800762] |
| ChEMBL | Inhibition of human recombinant geranylgeranyl diphosphate synthase | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2008) 51: 5594-5607 [PMID:18800762] |
| 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 | Inhibition of human GGPPS | B | 4 | pIC50 | 100000 | nM | IC50 | J Med Chem (2019) 62: 2564-2581 [PMID:30730737] |
| ChEMBL | Inhibition of human GGPPS | B | 4.01 | pIC50 | 97000 | nM | IC50 | Proc Natl Acad Sci U S A (2007) 104: 10022-10027 [PMID:17535895] |
| Geranyltranstransferase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075078] [UniProtKB: P22939] | ||||||||
| ChEMBL | Inhibition of Escherichia coli FPPS | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2006) 49: 7331-7341 [PMID:17149863] |
| MMP14/Matrix metalloproteinase 14 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3869] [GtoPdb: 1638] [UniProtKB: P50281] | ||||||||
| ChEMBL | Inhibition of MMP14 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay | B | 4.9 | pIC50 | 12600 | nM | IC50 | Bioorg Med Chem (2013) 21: 6456-6465 [PMID:24071448] |
| MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of APMA-activated recombinant human MMP2 using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay | B | 5.15 | pIC50 | 7000 | nM | IC50 | Bioorg Med Chem (2013) 21: 6456-6465 [PMID:24071448] |
| ChEMBL | Inhibition of human recombinant MMP-2 pretreated for 30 mins measured 2 to 4 hrs after Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 substrate addition by fluorescence analysis | B | 5.15 | pIC50 | 7000 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 2617-2620 [PMID:24813742] |
| MMP8/Matrix metalloproteinase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4588] [GtoPdb: 1632] [UniProtKB: P22894] | ||||||||
| ChEMBL | Inhibition of MMP8 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay | B | 4.75 | pIC50 | 17600 | nM | IC50 | Bioorg Med Chem (2013) 21: 6456-6465 [PMID:24071448] |
| MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| ChEMBL | Inhibition of MMP9 catalytic domain (unknown origin) using Mca-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 as substrate incubated for 30 mins prior to substrate addition measured after 2 to 4 hrs by fluorometric assay | B | 4.28 | pIC50 | 52000 | nM | IC50 | Bioorg Med Chem (2013) 21: 6456-6465 [PMID:24071448] |
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]
