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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  • acetylcholinesterase (Cartwright blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • alpha glucosidase/Acidic alpha-glucosidase in Rat [ChEMBL: CHEMBL3513] [GtoPdb: 2611] [UniProtKB: Q6P7A9]
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  • 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]
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  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
  • 5-LOX/Arachidonate 5-lipoxygenase in Rat [ChEMBL: CHEMBL312] [GtoPdb: 1385] [UniProtKB: P12527]
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  • carbonic anhydrase 1/Carbonic anhydrase I in Human [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915]
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  • carbonic anhydrase 2/Carbonic anhydrase II in Human [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918]
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  • carbonic anhydrase 4/Carbonic anhydrase IV in Human [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748]
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  • carbonic anhydrase 9/Carbonic anhydrase IX in Human [ChEMBL: CHEMBL3594] [GtoPdb: 3055] [UniProtKB: Q16790]
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  • carbonic anhydrase 5A/Carbonic anhydrase VA in Human [ChEMBL: CHEMBL4789] [GtoPdb: 3093] [UniProtKB: P35218]
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  • carbonic anhydrase 7/Carbonic anhydrase VII in Human [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166]
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  • carbonic anhydrase 12/Carbonic anhydrase XII in Human [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570]
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  • carbonic anhydrase 13/Carbonic anhydrase XIII in Mouse [ChEMBL: CHEMBL2186] [GtoPdb: 2748] [UniProtKB: Q9D6N1]
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  • carbonic anhydrase 14/Carbonic anhydrase XIV in Human [ChEMBL: CHEMBL3510] [GtoPdb: 2598] [UniProtKB: Q9ULX7]
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  • Catechol-O-methyltransferase/Catechol O-methyltransferase in Rat [ChEMBL: CHEMBL2372] [GtoPdb: 2472] [UniProtKB: P22734]
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
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  • Dual specificity protein phosphatase 3 in Human [ChEMBL: CHEMBL2635] [UniProtKB: P51452]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • MMP1/Matrix metalloproteinase-1 in Human [ChEMBL: CHEMBL332] [GtoPdb: 1628] [UniProtKB: P03956]
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  • MMP2/Matrix metalloproteinase-2 in Human [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253]
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  • MMP9/Matrix metalloproteinase 9 in Human [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780]
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  • Neuraminidase in Influenza A virus (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1)) [ChEMBL: CHEMBL1287610] [UniProtKB: P03470]
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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 LC-PTP in Human [ChEMBL: CHEMBL2219] [UniProtKB: P35236]
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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 (Cartwright 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]

ChEMBL data shown on this page come from version 31:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, Cibrián-Uhalte E, Davies M, Dedman N, Karlsson A, Magariños 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]