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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) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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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] |
T-cell protein-tyrosine phosphatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3807] [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 32:
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]