BPH-252 [Ligand Id: 3198] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL54004 (BPH-252)
  • farnesyl diphosphate synthase/Farnesyl diphosphate synthase in Human [ChEMBL: CHEMBL1782] [GtoPdb: 644] [UniProtKB: P14324]
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  • Farnesyl pyrophosphate synthase in Leishmania donovani [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
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  • geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
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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 Binding affinity towards farnesyl Pyrophosphate Synthase using [14C]- isopentenyl pyrophosphate as radioligand B 6.64 pKi 230 nM Ki J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase was determined B 5.62 pIC50 2400 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
ChEMBL Inhibitory activity against farnesyl Pyrophosphate Synthase expressed as #NAME? (M) B 5.63 pIC50 2344.23 nM IC50 J Med Chem (2003) 46: 5171-5183 [PMID:14613320]
Farnesyl pyrophosphate synthase in Leishmania donovani (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3693] [UniProtKB: Q0GKD7]
ChEMBL Inhibitory activity against Leishmania major Farnesyl diphosphate synthase B 5.63 pIC50 2370 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
ChEMBL Inhibitory activity against FPPS in Leishmania major B 5.63 pIC50 2370 nM IC50 J Med Chem (2006) 49: 215-223 [PMID:16392806]
ChEMBL Inhibitory activity against FPPS in Leishmania major B 5.63 pIC50 2344.23 nM IC50 J Med Chem (2006) 49: 215-223 [PMID:16392806]
geranylgeranyl diphosphate synthase/Geranylgeranyl pyrophosphate synthetase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4769] [GtoPdb: 643] [UniProtKB: O95749]
GtoPdb Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase). - 6.14 pIC50 720 nM IC50 J Med Chem (2002) 45: 2185-96 [PMID:12014956]
ChEMBL Inhibitory activity against the human recombinant geranylgeranyl diphosphate synthase (GGPPSase). B 6.14 pIC50 720 nM IC50 J Med Chem (2002) 45: 2185-2196 [PMID:12014956]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 6.15 pIC50 710 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
GtoPdb Inhibition of human recombinant geranylgeranyl diphosphate synthase - 6.15 pIC50 710 nM IC50 J Med Chem (2008) 51: 5594-607 [PMID:18800762]
ChEMBL Inhibition of human recombinant geranylgeranyl diphosphate synthase B 6.2 pIC50 630.96 nM IC50 J Med Chem (2008) 51: 5594-5607 [PMID:18800762]
Hexokinase in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4151] [UniProtKB: Q8ST54]
ChEMBL Inhibitory activity against Trypanosoma cruzi hexokinase B 5.56 pIC50 2754.23 nM IC50 J Med Chem (2006) 49: 215-223 [PMID:16392806]
ChEMBL Inhibitory activity against Trypanosoma cruzi hexokinase B 5.56 pIC50 2750 nM IC50 J Med Chem (2006) 49: 215-223 [PMID:16392806]
ChEMBL Inhibition of Trypanosoma cruzi hexokinase B 6.09 pIC50 810 nM IC50 J Biol Chem (2007) 282: 12377-12387 [PMID:17329254]
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653]
ChEMBL Inhibitory activity against Plasmodium berghei Ghana F 5.7 pIC50 2000 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
ChEMBL Inhibitory activity against Plasmodium berghei W2 F 6 pIC50 1000 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
ChEMBL Inhibitory activity against Plasmodium berghei 3D7 F 6.08 pIC50 830 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Growth inhibition of Plasmodium falciparum F 5.48 pIC50 3300 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL Growth inhibition of Plasmodium falciparum F 5.5 pIC50 3162.28 nM IC50 J Med Chem (2008) 51: 7827-7833 [PMID:19053772]
ChEMBL Antimicrobial activity against Plasmodium falciparum F 6 pIC50 1000 nM IC50 Bioorg Med Chem (2010) 18: 2225-2231 [PMID:20185316]
ChEMBL In vitro growth inhibition against Plasmodium falciparum F 6.08 pIC50 830 nM IC50 J Med Chem (2004) 47: 175-187 [PMID:14695831]
ChEMBL Antiparasitic activity against Plasmodium falciparum 3D7 infected in human erythrocyte assessed as intraerythrocytic growth inhibition incubated for 24 hrs followed by [3H]hypoxanthine addition by microbeta scintillation counter analysis F 6.08 pIC50 830 nM IC50 J Med Chem (2021) 64: 1260-1282 [PMID:33522236]

ChEMBL data shown on this page come from version 34:

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]