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ChEMBL ligand: CHEMBL997 (Acide ibandronique, Acido ibandronico, Bondenza, Bondronat, Boniva, Bonviva, Iasibon, Ibandronate, Ibandronic acid, Ibandronic Acid, Ibandronic acid accord, Ibandronic acid sandoz, Ibandronic acid teva, NSC-722623, Quodixor) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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] |
ChEMBL | Inhibition of human recombinant FPP synthase | B | 7.7 | pIC50 | 20 | nM | IC50 | J Med Chem (2021) 64: 9677-9710 [PMID:34236862] |
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 35:
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]