chlorogenic acid [Ligand Id: 12477] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL284616 (5-cqa, Chlorogenic acid, Cp chlorogenic acid, Heriguard, NSC-407296, NSC-70861, Trans-5-o-caffeoylquinic acid, Trans-caffeic acid 5-o-d-quinate, Trans-chlorogenic acid)
  • Aldo-keto reductase family 1 member B10 in Human [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • Beta-1,3-glucan synthase in Candida albicans [ChEMBL: CHEMBL2037] [UniProtKB: O13383]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
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  • protein tyrosine phosphatase non-receptor type 2/T-cell protein-tyrosine phosphatase in Human [ChEMBL: CHEMBL3807] [GtoPdb: 3255] [UniProtKB: P17706]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218]
ChEMBL Inhibition of human recombinant N-terminus His6-tagged AKR1B10 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spectrometric analysis B 5.1 pIC50 7900 nM IC50 Eur J Med Chem (2012) 48: 321-329 [PMID:22236472]
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry B 5.74 pIC50 1800 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
ChEMBL Inhibition of human recombinant N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spectrometric analysis B 6.52 pIC50 300 nM IC50 Eur J Med Chem (2012) 48: 321-329 [PMID:22236472]
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL Inhibition of Sprague-Dawley rat lens aldose reductase B 6.02 pIC50 950 nM IC50 J Nat Prod (2012) 75: 267-270 [PMID:22264115]
Beta-1,3-glucan synthase in Candida albicans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2037] [UniProtKB: O13383]
ChEMBL Inhibition of Candida albicans 1,3 beta-D-glucan synthase B 4.05 pIC50 >90000 nM IC50 Bioorg Med Chem (2010) 18: 7009-7014 [PMID:20813534]
Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Inhibition of human amyloid beta (1 to 42) aggregation after 24 hrs by thioflavin-T fluorescence assay B 4.03 pIC50 92900 nM IC50 Bioorg Med Chem (2012) 20: 5844-5849 [PMID:22921742]
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
ChEMBL Inhibition of HIV-1 integrase, under 1 uM for the 3''-preprocessing B 4.06 pIC50 87800 nM IC50 J Med Chem (2000) 43: 2100-2114 [PMID:10841789]
ChEMBL Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 1 B 4.06 pIC50 87800 nM IC50 J Med Chem (1997) 40: 942-951 [PMID:9083483]
ChEMBL Inhibitory concentration of compound against 3'-processing of HIV-1 integrase in experiment 2 B 4.24 pIC50 58200 nM IC50 J Med Chem (1997) 40: 942-951 [PMID:9083483]
ChEMBL Tested for inhibition of HIV-1 integrase, under 1 uM for the strand transfer B 4.34 pIC50 45800 nM IC50 J Med Chem (2000) 43: 2100-2114 [PMID:10841789]
ChEMBL Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 1 B 4.34 pIC50 45800 nM IC50 J Med Chem (1997) 40: 942-951 [PMID:9083483]
ChEMBL Inhibitory concentration of compound against strand transfer of HIV-1 integrase in experiment 2 B 4.5 pIC50 31300 nM IC50 J Med Chem (1997) 40: 942-951 [PMID:9083483]
protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031]
ChEMBL Non-competitive inhibition of PTP1B (unknown origin) using p-NPP as substrate by Lineweaver-Burk plot analysis B 4.82 pKi 15100 nM Ki Bioorg Med Chem Lett (2018) 28: 1194-1197 [PMID:29525218]
ChEMBL Inhibition of PTP1B (unknown origin) B 4.95 pIC50 11100 nM IC50 Bioorg Med Chem Lett (2018) 28: 1194-1197 [PMID:29525218]
GtoPdb - - 4.96 pIC50 11000 nM IC50 Bioorg Med Chem (2021) 44: 116295 [PMID:34246920]
ChEMBL Inhibition of PTP1B (unknown origin) B 7 pIC50 100 nM IC50 Bioorg Med Chem (2021) 44: 116295-116295 [PMID:34246920]
protein tyrosine phosphatase non-receptor type 2/T-cell protein-tyrosine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3807] [GtoPdb: 3255] [UniProtKB: P17706]
ChEMBL Inhibition of TCPTP (unknown origin) B 4.11 pIC50 77900 nM IC50 Bioorg Med Chem Lett (2018) 28: 1194-1197 [PMID:29525218]

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]