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] |
| Amyloid-beta 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] |
| 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-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of BACE1 (unknown origin) | B | 4.78 | pIC50 | 16670 | nM | IC50 | Eur J Med Chem (2021) 221: 113492-113492 [PMID:33984802] |
| 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] |
| lysine demethylase 5B/Lysine-specific demethylase 5B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3774295] [GtoPdb: 2681] [UniProtKB: Q9UGL1] | ||||||||
| ChEMBL | Inhibition of KDM5B (unknown origin) | B | 5.54 | pIC50 | 2880 | nM | IC50 | Eur J Med Chem (2020) 208: 112760-112760 [PMID:32883639] |
| 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 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
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]
