ibandronic acid [Ligand Id: 3059] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL997 (Bondenza, Bondronat, Boniva, Bonviva, Iasibon, Ibandronate, Ibandronic acid, Ibandronic Acid, Ibandronic acid accord, Ibandronic acid sandoz, Ibandronic acid teva, NSC-722623, Quodixor)
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
  • farnesyl diphosphate synthase in Rat [GtoPdb: 644] [UniProtKB: P05369]
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  • geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
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  • squalene synthase /Squalene synthetase in Rat [ChEMBL: CHEMBL3815] [GtoPdb: 645] [UniProtKB: Q02769]
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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]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 6.71 pKi 195 nM Ki J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
GtoPdb - - 6.71 pKi 195 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 7.34 pKi 46 nM Ki J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 8.44 pKi 3.6 nM Ki J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 B 5.98 pIC50 1052 nM IC50 J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 6.32 pIC50 480 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 6.32 pIC50 478.63 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins B 7.6 pIC50 25.4 nM IC50 J Med Chem (2008) 51: 2187-2195 [PMID:18327899]
ChEMBL Inhibitory activity against the human recombinant FPPSase (Farnesyl diphosphate) enzyme B 7.7 pIC50 20 nM IC50 J Med Chem (2002) 45: 2185-2196 [PMID:12014956]
farnesyl diphosphate synthase in Rat [GtoPdb: 644] [UniProtKB: P05369]
GtoPdb in vitro using kidney cell lines - 5.13 pIC50 7400 nM - Toxicol In Vitro (2008) 22: 899-909 [PMID:18325729]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
ChEMBL Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase). B 4.08 pIC50 83000 nM IC50 J Med Chem (2002) 45: 2185-2196 [PMID:12014956]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 4.1 pIC50 79432.82 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 4.1 pIC50 79430 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Growth inhibition of Plasmodium falciparum F 4.1 pIC50 79432.82 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL Growth inhibition of Plasmodium falciparum F 4.13 pIC50 74000 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL Antimicrobial activity against Plasmodium falciparum F 4.23 pIC50 59000 nM IC50 Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316]
squalene synthase /Squalene synthetase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3815] [GtoPdb: 645] [UniProtKB: Q02769]
GtoPdb Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting - 6.19 pIC50 640 nM IC50 Bioorg Med Chem (2010) 18: 2428-38 [PMID:20299227]
ChEMBL Inhibition of squalene synthase in rat liver microsomes assessed as conversion of [1-3H]FPP to [3H]squalene level after 60 mins by liquid scintillation counting B 6.19 pIC50 640 nM IC50 Bioorg Med Chem (2010) 18: 2428-2438 [PMID:20299227]

ChEMBL data shown on this page come from version 32:

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]