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 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]