allicin [Ligand Id: 2419] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL359965 (Allicin, Diallyl Thiosulfinate)
  • cathepsin B/Cathepsin B in Human [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858]
  • This target only has 1 pki data point
1 CHEMBL359965_lig_chart_1 Cathepsin B Human
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  • cathepsin L/Cathepsin L in Human [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711]
  • This target only has 1 pki data point
2 CHEMBL359965_lig_chart_2 Cathepsin L Human
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  • Plasmodium berghei [ChEMBL: CHEMBL612653]
  • This target only has 0 pki data point
3 CHEMBL359965_lig_chart_3 Plasmodium berghei Plasmodium berghei
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  • Plasmodium falciparum [ChEMBL: CHEMBL364]
  • This target only has 0 pki data point
4 CHEMBL359965_lig_chart_4 Plasmodium falciparum Plasmodium falciparum
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  • Plasmodium yoelii [ChEMBL: CHEMBL612889]
  • This target only has 0 pki data point
5 CHEMBL359965_lig_chart_5 Plasmodium yoelii Plasmodium yoelii
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  • Rhodesain in Trypanosoma brucei rhodesiense [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
  • This target only has 1 pki data point
6 CHEMBL359965_lig_chart_6 Rhodesain Trypanosoma brucei rhodesiense
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  • Telomerase reverse transcriptase in Human [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
  • This target only has 0 pki data point
7 CHEMBL359965_lig_chart_7 Telomerase reverse transcriptase Human
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  • TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
  • TRPA1/Transient receptor potential cation channel subfamily A member 1 in Mouse [ChEMBL: CHEMBL1075310] [GtoPdb: 485] [UniProtKB: Q8BLA8]
  • This target only has 0 pki data point
8 CHEMBL359965_lig_chart_8 Transient receptor potential cation channel subfamily A member 1 HumanMouse
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  • TRPV1/Vanilloid receptor in Rat [ChEMBL: CHEMBL5102] [GtoPdb: 507] [UniProtKB: O35433]
  • This target only has 0 pki data point
9 CHEMBL359965_lig_chart_9 Vanilloid receptor Rat
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
cathepsin B/Cathepsin B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4072] [GtoPdb: 2343] [UniProtKB: P07858]
ChEMBL Inhibition of cathepsin B B 5.07 pKi 8600 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5541-5543 [PMID:20692829]
cathepsin L/Cathepsin L in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3837] [GtoPdb: 2351] [UniProtKB: P07711]
ChEMBL Inhibition of cathepsin L B 5.03 pKi 9300 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5541-5543 [PMID:20692829]
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653]
ChEMBL Antimalarial activity against liver stages of Plasmodium berghei assessed as human HepG2 cells assessed as inhibition of hepatic parasite growth after invasion of hepatocytes incubated for 48 hrs followed by compound wash out measured after 2 days by RT-PCR analysis F 4.4 pIC50 39400 nM IC50 J. Med. Chem. (2012) 55: 995-1012 [PMID:22122518]
ChEMBL Antimalarial activity against liver stages of Plasmodium berghei infected in human HepG2 cells assessed as growth inhibition of hepatic parasite before invasion of hepatocytes incubated for 48 hrs followed by compound wash out measured after 3 days by RT-PCR analysis F 5.17 pIC50 6800 nM IC50 J. Med. Chem. (2012) 55: 995-1012 [PMID:22122518]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiparasitic activity against Plasmodium falciparum F 5.28 pIC50 5210 nM IC50 Bioorg. Med. Chem. Lett. (2010) 20: 5541-5543 [PMID:20692829]
Plasmodium yoelii (target type: ORGANISM) [ChEMBL: CHEMBL612889]
ChEMBL Antimalarial activity against liver stages of Plasmodium yoelii 17XNL expressing GFP infected in human HepG2 cells transfected with CD81 assessed as growth inhibition of hepatic parasite after 40 hrs by flow cytometry F 4.4 pIC50 40000 nM IC50 J. Med. Chem. (2012) 55: 995-1012 [PMID:22122518]
Rhodesain in Trypanosoma brucei rhodesiense (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
ChEMBL Inhibition of Trypanosoma brucei rhodesiense rhodesain B 5.27 pKi 5310 nM Ki Bioorg. Med. Chem. Lett. (2010) 20: 5541-5543 [PMID:20692829]
Telomerase reverse transcriptase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2916] [UniProtKB: O14746]
ChEMBL Inhibition of telomerase in human SGC7901 cells by TRAP-PCR-ELISA B 6.3 pIC50 500 nM IC50 MedChemComm (2011) 2: 229-245
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6007] [GtoPdb: 485] [UniProtKB: O75762]
GtoPdb - - 5.1 pEC50 7943 nM EC50 Proc. Natl. Acad. Sci. U.S.A. (2005) 102: 12248-52 [PMID:16103371]
ChEMBL Activation of human TRPA1 channel B 5.72 pEC50 1910 nM EC50 J. Med. Chem. (2010) 53: 5085-5107 [PMID:20356305]
TRPA1/Transient receptor potential cation channel subfamily A member 1 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075310] [GtoPdb: 485] [UniProtKB: Q8BLA8]
ChEMBL Activation of mouse TRPA1 channel B 5.88 pEC50 1320 nM EC50 J. Med. Chem. (2010) 53: 5085-5107 [PMID:20356305]
GtoPdb - - 5.9 pEC50 - - - Curr. Biol. (2005) 15: 929-34 [PMID:15916949]
TRPV1/Vanilloid receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5102] [GtoPdb: 507] [UniProtKB: O35433]
ChEMBL Activation of rat TRPV1 channel B 4.29 pEC50 51220 nM EC50 J. Med. Chem. (2010) 53: 5085-5107 [PMID:20356305]
GtoPdb - - 4.6 pEC50 - - - Curr. Biol. (2005) 15: 929-34 [PMID:15916949]

ChEMBL data shown on this page come from version 27:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]