caffeic acid [Ligand Id: 5155] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL145 (2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, (2E)-, Caffeic acid, Cinnamic acid, 3,4-dihydroxy-, NSC-57197, NSC-623438, Trans-3,4-dihydroxycinnamic acid, trans-Caffeate, Trans-caffeic acid) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| 5-lipoxygenase in Solanum tuberosum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3317] [UniProtKB: O49150] | ||||||||
| ChEMBL | Inhibition of potato 5-LOX after 5 mins by enzyme immuno assay | B | 5.4 | pIC50 | 4000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 6855-6861 [PMID:19884005] |
| ChEMBL | Inhibitory activity against potato 5LOX | B | 5.52 | pIC50 | 3000 | nM | IC50 | J Med Chem (2006) 49: 1668-1683 [PMID:16509583] |
| acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
| ChEMBL | Inhibition of acetylcholinesterase (unknown origin) using acetylcholine iodide as substrate preincubated for 15 mins prior to substrate addition by spectrophotometric analysis | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4248-4252 [PMID:23746477] |
| alpha glucosidase/Acidic alpha-glucosidase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3513] [GtoPdb: 2611] [UniProtKB: Q6P7A9] | ||||||||
| ChEMBL | Inhibition of rat intestine maltase using maltose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose oxidase colorimetric method | B | 4.46 | pIC50 | 34690 | nM | IC50 | Eur J Med Chem (2013) 66: 296-304 [PMID:23811091] |
| 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 | 4.05 | pIC50 | 90000 | 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 N-terminus His6-tagged AKR1B1 expressed in Escherichia coli BL21 DE3 assessed as pyridine-3-aldehyde reduction by spectrometric analysis | B | 4.49 | pIC50 | 32000 | nM | IC50 | Eur J Med Chem (2012) 48: 321-329 [PMID:22236472] |
| 5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
| ChEMBL | Inhibition of human 5LOX expressed in HEK293 cells | B | 4.6 | pIC50 | 25000 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 1118-1121 [PMID:19152786] |
| ChEMBL | Inhibitory activity against 5-lipoxygenase in guinea pig leukocyte | B | 4.78 | pIC50 | 16700 | nM | IC50 | J Med Chem (1989) 32: 583-593 [PMID:2465410] |
| ChEMBL | Inhibition of human 5-LOX expressed in Escherichia coli Bl21 (DE3) assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 10 mins before arachidonic acid substrate addition by RP-HPLC method | B | 5 | pIC50 | >10000 | nM | IC50 | Eur J Med Chem (2015) 101: 573-583 [PMID:26197161] |
| ChEMBL | Inhibition of 5-LOX in human neutrophils assessed as reduction in LTB4 and 5-H(P)ETE) formation pre-incubated for 15 mins before A23187 and arachidonic acid substrate addition by RP-HPLC method | B | 5.07 | pIC50 | 8500 | nM | IC50 | Eur J Med Chem (2015) 101: 573-583 [PMID:26197161] |
| 5-LOX/Arachidonate 5-lipoxygenase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527] | ||||||||
| ChEMBL | In vitro inhibition against 5-lipoxygenase in RBL-1 cells was determined | B | 4.37 | pIC50 | 43000 | nM | IC50 | J Med Chem (1993) 36: 3904-3909 [PMID:8254620] |
| 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 | 4.48 | pIC50 | 32800 | nM | IC50 | Bioorg Med Chem (2012) 20: 5844-5849 [PMID:22921742] |
| ChEMBL | Inhibition of amyloid beta (1 to 42) fibrillization (unknown origin) incubated with agitation for 1 min every hr measured over 80 hrs by thioflavin-T assay | B | 4.81 | pIC50 | 15600 | nM | IC50 | Eur J Med Chem (2018) 158: 393-404 [PMID:30227353] |
| carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
| ChEMBL | Inhibition of human CA1 by stopped-flow CO2 hydration assay | B | 5.62 | pKi | 2380 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
| ChEMBL | Inhibition of human CA2 by stopped-flow CO2 hydration assay | B | 5.79 | pKi | 1610 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2885] [UniProtKB: P07451] | ||||||||
| ChEMBL | Inhibition of human CA3 by stopped-flow CO2 hydration assay | B | 5 | pKi | 10000 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
| ChEMBL | Inhibition of human CA4 by stopped-flow CO2 hydration assay | B | 5 | pKi | 10100 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 9/Carbonic anhydrase IX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790] | ||||||||
| ChEMBL | Inhibition of human CA9 by stopped-flow CO2 hydration assay | B | 5.1 | pKi | 7870 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 5A/Carbonic anhydrase VA in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218] | ||||||||
| ChEMBL | Inhibition of human CA5A by stopped-flow CO2 hydration assay | B | 5.19 | pKi | 6490 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase VB in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3969] [UniProtKB: Q9Y2D0] | ||||||||
| ChEMBL | Inhibition of human CA5B by stopped-flow CO2 hydration assay | B | 5.04 | pKi | 9080 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| Carbonic anhydrase VI in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3025] [UniProtKB: P23280] | ||||||||
| ChEMBL | Inhibition of human CA6 by stopped-flow CO2 hydration assay | B | 5.13 | pKi | 7330 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
| ChEMBL | Inhibition of human CA7 by stopped-flow CO2 hydration assay | B | 5.19 | pKi | 6420 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
| ChEMBL | Inhibition of human CA12 by stopped-flow CO2 hydration assay | B | 5.04 | pKi | 9060 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| ChEMBL | Inhibition of human catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay | B | 5.04 | pKi | 9060 | nM | Ki | Bioorg Med Chem (2015) 23: 7181-7188 [PMID:26498394] |
| carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1] | ||||||||
| ChEMBL | Inhibition of mouse CA13 by stopped-flow CO2 hydration assay | B | 4.96 | pKi | 10900 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| ChEMBL | Inhibition of mouse carbonic anhydrase 13 preincubated for 15 mins by stopped-flow CO2 hydration assay | B | 4.96 | pKi | 10900 | nM | Ki | Bioorg Med Chem (2015) 23: 7181-7188 [PMID:26498394] |
| carbonic anhydrase 14/Carbonic anhydrase XIV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7] | ||||||||
| ChEMBL | Inhibition of human CA14 by stopped-flow CO2 hydration assay | B | 5.06 | pKi | 8710 | nM | Ki | Bioorg Med Chem (2010) 18: 2159-2164 [PMID:20185318] |
| ChEMBL | Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay | B | 5.06 | pKi | 8710 | nM | Ki | Bioorg Med Chem (2015) 23: 7181-7188 [PMID:26498394] |
| Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734] | ||||||||
| ChEMBL | Inhibition of S-COMT in Wistar rat liver assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 5 mins by chromatographic analysis | B | 5.23 | pIC50 | 5861 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
| ChEMBL | Inhibition of MB-COMT in Wistar rat brain assessed as metanephrine formation preincubated for 20 mins followed by addition of adrenaline as substrate and SAM measured after 15 mins by chromatographic analysis | B | 7.03 | pIC50 | 92.82 | nM | IC50 | J Med Chem (2016) 59: 7584-7597 [PMID:27463695] |
| dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
| ChEMBL | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay | B | 5.47 | pIC50 | 3370 | nM | IC50 | Eur J Med Chem (2018) 151: 145-157 [PMID:29609120] |
| Dual specificity protein phosphatase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2635] [UniProtKB: P51452] | ||||||||
| ChEMBL | Inhibition of GST-tagged human VHR using pNpp as substrate after 30 mins | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6833-6837 [PMID:21962577] |
| Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
| ChEMBL | Inhibition of HIV1 integrase by ELISA | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 6553-6557 [PMID:18952420] |
| ChEMBL | Inhibition of HIV1 integrase strand transfer activity | B | 4.62 | pIC50 | 24000 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4736-4740 [PMID:18674899] |
| ChEMBL | Inhibition of HIV1 integrase in presence of Mn2+ | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4736-4740 [PMID:18674899] |
| ChEMBL | Inhibition of HIV1 integrase by overall integration assay | B | 5.55 | pIC50 | 2800 | nM | IC50 | Bioorg Med Chem Lett (2008) 18: 4736-4740 [PMID:18674899] |
| MMP1/Matrix metalloproteinase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP1 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins | B | 6.62 | pIC50 | 238.91 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1206-1211 [PMID:23375794] |
| MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP2 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins | B | 7.62 | pIC50 | 24.26 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1206-1211 [PMID:23375794] |
| MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
| ChEMBL | Inhibition of human recombinant MMP9 using succinylated gelatin as substrate incubated for 30 mins prior to substrate addition measured after 60 mins | B | 7.67 | pIC50 | 21.22 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1206-1211 [PMID:23375794] |
| ChEMBL | Inhibition of MMP9 in human Hep3B cells using gelatin as substrate | B | 8 | pIC50 | 10 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1206-1211 [PMID:23375794] |
| Neuraminidase in Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1287610] [UniProtKB: P03470] | ||||||||
| ChEMBL | Inhibition of Influenza A virus A/WSN/1933(H1N1)) neuraminidase in the presence of 2'-(4-methyl-umbelliferyl)-alphaD-N-acetylneuraminic acid substrate after 10 mins by fluorometric assay | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2012) 55: 8493-8501 [PMID:22963087] |
| protein tyrosine phosphatase non-receptor type 1/Protein-tyrosine phosphatase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL335] [GtoPdb: 2976] [UniProtKB: P18031] | ||||||||
| ChEMBL | Inhibition of human recombinant PTP1B after 10 mins | B | 5.51 | pIC50 | 3060 | nM | IC50 | J Nat Prod (2009) 72: 1198-1201 [PMID:19476336] |
| Protein-tyrosine phosphatase LC-PTP in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2219] [UniProtKB: P35236] | ||||||||
| ChEMBL | Inhibition of GST-tagged human HePTP using pNpp as substrate after 30 mins | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 6833-6837 [PMID:21962577] |
| Seed lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
| ChEMBL | In vitro inhibitory activity against 5-lipoxygenase obtained from potato | B | 5.52 | pIC50 | 3000 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 4842-4845 [PMID:16143531] |
| Sucrase-isomaltase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3114] [UniProtKB: P23739] | ||||||||
| ChEMBL | Inhibition of rat intestine sucrase using sucrose as substrate incubated for 10 mins prior to substrate addition measured after 40 mins by glucose oxidase colorimetric method | B | 4.06 | pIC50 | 87450 | nM | IC50 | Eur J Med Chem (2013) 66: 296-304 [PMID:23811091] |
| transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
| ChEMBL | Inhibition of TTR V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of amyloid fibril formation by fluorescence assay | B | 4.01 | pEC50 | 97000 | nM | EC50 | J Med Chem (2014) 57: 8928-8935 [PMID:25314129] |
| AT1 receptor/Type-1 angiotensin II receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL227] [GtoPdb: 34] [UniProtKB: P30556] | ||||||||
| ChEMBL | Displacement of [125-I]-[Sar1, AngII from AT1R (unknown origin) expressed in Escherichia coli BL 21 (DE3) incubated for 2 hrs by radioimmunoassay | B | 6.9 | pIC50 | 124.6 | nM | IC50 | J Med Chem (2021) 64: 4196-4205 [PMID:33784102] |
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]
