curcumin [Ligand Id: 7000] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL140
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
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  • 5-LOX/Arachidonate 5-lipoxygenase in Human [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
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  • butyrylcholinesterase/Butyrylcholinesterase in Human [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
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  • CDGSH iron-sulfur domain-containing protein 1 in Human [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45]
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  • coagulation factor III, tissue factor/Coagulation factor III in Human [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
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  • CREB binding protein/CREB-binding protein in Human [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
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  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
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  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
  • glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Rat [ChEMBL: CHEMBL3669] [GtoPdb: 2030] [UniProtKB: P18266]
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  • E1A binding protein p300/Histone acetyltransferase p300 in Human [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
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  • histone deacetylase 1/Histone deacetylase 1 in Human [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
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  • histone deacetylase 2/Histone deacetylase 2 in Human [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
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  • histone deacetylase 8/Histone deacetylase 8 in Human [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
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  • lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
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  • NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20]
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  • nuclear factor, erythroid 2 like 2/Nuclear factor erythroid 2-related factor 2 in Human [ChEMBL: CHEMBL1075094] [GtoPdb: 3057] [UniProtKB: Q16236]
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  • proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
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  • Rhodesain in Trypanosoma brucei rhodesiense [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
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  • Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
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  • SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Human [ChEMBL: CHEMBL3901] [GtoPdb: 841] [UniProtKB: P16615]
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  • SERCA3/Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 in Human [ChEMBL: CHEMBL2401] [GtoPdb: 842] [UniProtKB: Q93084]
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  • p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
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  • SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Mouse [ChEMBL: CHEMBL3074] [GtoPdb: 2206] [UniProtKB: P05480]
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  • TRPV4 in Human [GtoPdb: 510] [UniProtKB: Q9HBA0]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303]
ChEMBL Inhibition of human erythrocyte AChE using acetylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method B 5.3 pIC50 >5000 nM IC50 Eur J Med Chem (2017) 130: 139-153 [PMID:28242549]
Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840]
ChEMBL Binding affinity to alpha-synuclein LMV 50 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.19 pKd 6500 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein LMV 100 kDa (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.3 pKd 5000 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein oligomer (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 5.7 pKd 2000 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Binding affinity to alpha-synuclein preformed fibrils (unknown origin) expressed in Escherichia coli BL21(DE3) cells incubated for 30 mins by spectrofluorometric analysis B 6.3 pKd 500 nM Kd Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
ChEMBL Inhibition of alpha-synuclein fibril formation (unknown origin) incubated for 24 hrs to 7 days by thioflavin S based fluorescence assay B 6.66 pIC50 220 nM IC50 Eur J Med Chem (2019) 167: 10-36 [PMID:30743095]
Aminopeptidase N in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1907] [GtoPdb: 1560] [UniProtKB: P15144]
ChEMBL Inhibition of APN (unknown origin) B 4.81 pIC50 15500 nM IC50 J Med Chem (2018) 61: 6468-6490 [PMID:29630364]
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917]
ChEMBL Inhibition of human PMNL 5-LOX using arachidonic acid as substrate after 5 mins by HPLC method B 4.52 pIC50 30000 nM IC50 Bioorg Med Chem (2019) 27: 3745-3759 [PMID:31331653]
Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) self aggregation after 24 hrs by ThT-based fluorometric method B 4.65 pIC50 22510 nM IC50 Eur J Med Chem (2017) 136: 36-51 [PMID:28478343]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 48 hrs by thioflavin-T fluorescence assay B 4.66 pIC50 21810 nM IC50 Eur J Med Chem (2017) 125: 736-750 [PMID:27721157]
ChEMBL Inhibition of self-induced amyloid beta (1 to 42) (unknown origin) aggregation incubated for 48 hrs measured after 5 mins by thioflavin-T fluorescence assay B 4.66 pIC50 21810 nM IC50 Bioorg Med Chem (2016) 24: 3829-3841 [PMID:27353888]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation after 24 hrs by thioflavin-T fluorescence assay B 4.73 pIC50 18730 nM IC50 Bioorg Med Chem (2018) 26: 5759-5765 [PMID:30360953]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs under dark condition by thioflavin-T based fluorometric assay B 4.73 pIC50 18730 nM IC50 Eur J Med Chem (2017) 127: 174-186 [PMID:28061347]
ChEMBL Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 48 hrs by thioflavin T fluorescence assay B 4.74 pIC50 18250 nM IC50 Eur J Med Chem (2016) 122: 17-26 [PMID:27343850]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation incubated for 48 hrs by thioflavin-T fluorescence method B 4.79 pIC50 16250 nM IC50 Bioorg Med Chem Lett (2020) 30: 127659-127659 [PMID:33137375]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self-aggregation after 24 hrs by thioflavin-T fluorescence assay B 4.82 pIC50 14990 nM IC50 Eur J Med Chem (2018) 151: 351-362 [PMID:29635167]
ChEMBL Inhibition of self-induced aggregation of amyloid beta (1 to 42) (unknown origin) after 48 hrs by thioflavin T-based fluorescence method B 4.86 pIC50 13700 nM IC50 Medchemcomm (2018) 9: 1862-1870 [PMID:30568754]
ChEMBL Inhibition of self-mediated amyloid beta (1 to 42) (unknown origin) aggregation after 10 hrs by thioflavin T based fluorometric assay B 4.95 pIC50 11300 nM IC50 Bioorg Med Chem Lett (2016) 26: 747-750 [PMID:26783181]
ChEMBL Inhibition of human amyloid beta (1 to 42) aggregation after 46 to 48 hrs by Thioflavin T fluorescence assay B 5 pIC50 10000 nM IC50 J Nat Prod (2017) 80: 278-289 [PMID:28128562]
ChEMBL Inhibition of HFIP-induced human recombinant amyloid beta (1 to 42 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method B 5 pIC50 9900 nM IC50 Eur J Med Chem (2017) 126: 823-843 [PMID:27951490]
ChEMBL Inhibition of HFIP-pretreated amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by ThT fluorescence assay B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2017) 27: 1405-1411 [PMID:28216401]
ChEMBL Inhibition of Abeta42 (unknown origin) aggregation measured after 24 hrs by ThT fluorescence assay B 5.05 pIC50 9000 nM IC50 Bioorg Med Chem Lett (2016) 26: 3330-3335 [PMID:27256911]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self-induced aggregation incubated for 24 hrs by Thioflavin T based fluorometric assay B 5.08 pIC50 8270 nM IC50 Bioorg Med Chem (2021) 44: 116306-116306 [PMID:34274550]
ChEMBL Inhibition of amyloid beta (1 to 42) (unknown origin) self aggregation B 5.19 pIC50 6385 nM IC50 Eur J Med Chem (2019) 180: 656-672 [PMID:31352246]
ChEMBL Inhibition of amyloid beta (1 to 42 residues) (unknown origin) aggregation after 24 hrs by thioflavin T fluorescence assay B 5.27 pIC50 5400 nM IC50 Bioorg Med Chem Lett (2016) 26: 5024-5028 [PMID:27624076]
ChEMBL Inhibition of human biotinylated amyloid beta (1 to 42) oligomerization assessed as decrease in oligomer abundance measured after 1 hr by ELISA B 5.41 pIC50 3850 nM IC50 Bioorg Med Chem (2021) 43: 116247-116247 [PMID:34157569]
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 5.47 pIC50 3400 nM IC50 Eur J Med Chem (2018) 158: 393-404 [PMID:30227353]
ChEMBL Inhibition of HFIP-induced human recombinant amyloid beta (1 to 40 residues) aggregation expressed in Escherichia coli measured over 24 hrs by ThT-based fluorescence spectroscopic method B 5.48 pIC50 3300 nM IC50 Eur J Med Chem (2017) 126: 823-843 [PMID:27951490]
ChEMBL Inhibition of self-induced amyloid beta 42 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis B 5.51 pIC50 3100 nM IC50 ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601]
ChEMBL Inhibition of self-induced amyloid beta 40 (unknown origin) aggregation measured for 24 hrs by thioflavin T-based fluorescence spectroscopic analysis B 5.82 pIC50 1500 nM IC50 ACS Med Chem Lett (2016) 7: 502-507 [PMID:27190601]
ChEMBL Inhibition of amyloid beta (1 to 40 residues) (unknown origin) fibril formation by thioflavin-T fluorescence based assay B 6 pIC50 1000 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of human amyloid beta (1 to 40) aggregation after 1 hr by thioflavin-T fluorescence assay B 6.1 pIC50 800 nM IC50 J Nat Prod (2017) 80: 278-289 [PMID:28128562]
ChEMBL Inhibition of amyloid beta (1 to 42) aggregation (unknown origin) by ThT fluorescence assay B 6.2 pIC50 630 nM IC50 Bioorg Med Chem (2017) 25: 1195-1201 [PMID:28043778]
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276]
ChEMBL Inhibition of human serum BuChE using butylthiocholine chloride as substrate pretreated for 15 mins followed by substrate addition measured for 2 mins by DTNB reagent based spectrophotometric method B 5.3 pIC50 >5000 nM IC50 Eur J Med Chem (2017) 130: 139-153 [PMID:28242549]
CDGSH iron-sulfur domain-containing protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795168] [UniProtKB: Q9NZ45]
ChEMBL Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis B 7 pKi 101 nM Ki Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671]
ChEMBL Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by scintillation proximity assay B 5.63 pIC50 2360 nM IC50 Bioorg Med Chem Lett (2016) 26: 5350-5353 [PMID:27687671]
coagulation factor III, tissue factor/Coagulation factor III in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4081] [GtoPdb: 3192] [UniProtKB: P13726]
ChEMBL Inhibition of LPS-induced tissue factor procoagulant activity in human THP1 cells preincubated for 1 hr followed by LPS addition measured after 5 hrs using factor 10a chromogenic substrate in presence of prothrombin complex B 7.88 pIC50 13.16 nM IC50 Bioorg Med Chem Lett (2017) 27: 1026-1030 [PMID:28109788]
CREB binding protein/CREB-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5747] [GtoPdb: 2734] [UniProtKB: Q92793]
ChEMBL Inhibition of recombinant CBP (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA B 4.6 pIC50 25000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Time-Resolved Fluorescence Assay: The kinase activity of EGFR was detected according to time-resolved fluorescence detection technology to evaluate automatic phosphorylation levels. The test compound was dissolved in 100% DMSO, diluted with 25 mM HEPES (pH=7.4) to the desired concentration, added into each well with 10 μL of the test compounds and 10 μL solution containing 5 ng EGFR, then cultured for 10 min at room temperature using the recombinase diluted by 100 mM HEPES with a dilution ratio of 1:80, subsequently added with 10 μL solution containing 20 mM HEPES, 2 mM MnCl2, 100 μM Na3VO4, 1 mM DTT buffer, and 20 μL of 0.1 mM ATP and 50 mM MgCl2 and cultured for 1 h. The positive group in each plate was added with ATP-MgCl2 enzyme, the negative control group without adding with ATP-MgCl2 enzyme, the liquid was sucked out completely after cultured for 1 h, and each well was washed with buffer for three times. The wells were added with 75 μL anti-phosphorylated tyrosine antibody containing 400 ng europium labeling and cultured 1 h, washed, then added with enhancing solution. At the excitation wavelength 340 nm and the emission wavelength 615 nm, the fluorescence intensities were detected by using Victor type 2 time-resolved luminoscope, wherein the inhibitory rate of the compound on automatic phosphorylation: the inhibitory rate of autophosphorylation=100%−[(negative control)/(positive control−negative control)]. B 5.06 pIC50 8650 nM IC50 US-9409845-B2. Alpha-(3,5-dimethoxybenzylidene)-alpha′-hydrocarbyl methylene cyclic ketone and preparation method thereof (2016)
hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
ChEMBL Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method B 5.76 pIC50 1730 nM IC50 J Nat Prod (2017) 80: 965-974 [PMID:28319389]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841]
ChEMBL Inhibition of human recombinant GSK3-beta using prephosphorylated polypeptide as substrate incubated for 30 mins by Glo-type luminescence assay B 4.75 pIC50 17950 nM IC50 J Med Chem (2016) 59: 531-544 [PMID:26696252]
glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3669] [GtoPdb: 2030] [UniProtKB: P18266]
ChEMBL Inhibition of recombinant rat N-terminal GST-tagged GSK3beta expressed in Escherichia coli assessed as reduction in tau phosphorylation preincubated for 30 mins followed by tau protein addition measured after 1 hr by ELISA B 7.18 pIC50 66 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760]
ChEMBL Inhibition of human erythrocyte Glyoxalase-1 using GSH and MGO as substrate by Dixon plot analysis B 8.3 pKi 5 nM Ki Bioorg Med Chem (2020) 28: 115243-115243 [PMID:31879183]
GroEL/GroES in Escherichia coli (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106139] [UniProtKB: Q548M1, Q7BGE6]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured soluble pig heart MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 20 to 40 mins by malachite green dye based spectrometric analysis B 5.51 pIC50 3100 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
ChEMBL Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed as reduction in GroEL/GroES-mediated denatured rhodanese refolding by measuring rhodanese enzyme activity after 45 mins by Fe(SCN)3 dye based spectrometric analysis B 5.54 pIC50 2900 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
E1A binding protein p300/Histone acetyltransferase p300 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3784] [GtoPdb: 2735] [UniProtKB: Q09472]
GtoPdb - - 4.6 pIC50 25000 nM IC50 J Biol Chem (2004) 279: 51163-71 [PMID:15383533]
ChEMBL Inhibition of recombinant p300 (unknown origin) expressed in baculovirus expression system using histone substrate after 10 mins by liquid scintillation counting method in presence of [3H]acetyl-CoA B 4.6 pIC50 25000 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
ChEMBL Inhibition of recombinant human full-length His6-tagged p300 expressed in baculovirus infected Sf21 insect cells using [3H]acetylCoA as substrate preincubated for 10 mins followed by substrate addition and measured after 10 mins by liquid scintillation counting method B 4.6 pIC50 25000 nM IC50 J Med Chem (2020) 63: 1337-1360 [PMID:31910017]
ChEMBL Inhibition of recombinant human p300 catalytic domain (1284 to 1673 residues) using histone H3 peptide substrate after 1 hr by liquid scintillation counting method in presence of [3H]acetyl-CoA B 5.19 pIC50 6500 nM IC50 J Med Chem (2016) 59: 1249-1270 [PMID:26701186]
histone deacetylase 1/Histone deacetylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL325] [GtoPdb: 2658] [UniProtKB: Q13547]
ChEMBL Inhibition of HDAC1 (unknown origin) B 4.29 pKi 50790 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
histone deacetylase 2/Histone deacetylase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1937] [GtoPdb: 2616] [UniProtKB: Q92769]
ChEMBL Inhibition of HDAC2 (unknown origin) B 4.01 pKi 97670 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
histone deacetylase 8/Histone deacetylase 8 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3192] [GtoPdb: 2619] [UniProtKB: Q9BY41]
ChEMBL Inhibition of HDAC8 (unknown origin) B 4.19 pKi 64980 nM Ki Bioorg Med Chem Lett (2020) 30: 127171-127171 [PMID:32273215]
HSP60/HSP10 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106131] [UniProtKB: P10809, P61604]
ChEMBL Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Rosetta(DE3) assessed as reduction in HSP60/HSP10-mediated denatured MDH refolding by measuring MDH enzyme activity using sodium mesoxalate as substrate after 40 to 60 mins by malachite green dye based spectrometric analysis B 5.08 pIC50 8300 nM IC50 Bioorg Med Chem Lett (2019) 29: 1106-1112 [PMID:30852084]
lysine demethylase 1A/Lysine-specific histone demethylase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6136] [GtoPdb: 2669] [UniProtKB: O60341]
ChEMBL Inhibition of human recombinant LSD1 using fluorogenic ADHP as substrate preincubated for 30 mins followed by substrate addition measured after 10 mins by fluorescence assay B 5.02 pIC50 9600 nM IC50 Bioorg Med Chem Lett (2019) 29: 126683-126683 [PMID:31627991]
Microtubule-associated protein tau in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293224] [UniProtKB: P10636]
ChEMBL Inhibition of tau (unknown origin) fibril formation by fluorescence assay B 4.89 pIC50 13000 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of tau (unknown origin) fibril formation by thioflavin-T fluorescence based assay B 5.46 pIC50 3500 nM IC50 J Med Chem (2017) 60: 1620-1637 [PMID:28074653]
ChEMBL Inhibition of recombinant human TAU three-repeat microtubule-binding domain aggregation expressed in Escherichia coli after 16 hrs by thioflavin T fluorescence assay B 5.52 pIC50 3000 nM IC50 Bioorg Med Chem Lett (2016) 26: 5024-5028 [PMID:27624076]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of recombinant human MAO-A using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 6.15 pKi 710 nM Ki ACS Med Chem Lett (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of recombinant human MAOA using kynuramine as substrate by fluorescence based assay B 5.3 pIC50 5020 nM IC50 Bioorg Med Chem Lett (2020) 30: 127188-127188 [PMID:32299731]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of recombinant human MAO-B using p-tyramine as substrate assessed as H2O2 production preincubated for 15 mins followed by substrate addition measured for 15 mins by amplex red assay B 4.67 pKi 21500 nM Ki ACS Med Chem Lett (2016) 7: 56-61 [PMID:26819666]
ChEMBL Inhibition of recombinant human MAOB using kynuramine as substrate by fluorescence based assay B 5.59 pIC50 2560 nM IC50 Bioorg Med Chem Lett (2020) 30: 127188-127188 [PMID:32299731]
NLRP3/NACHT, LRR and PYD domains-containing protein 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1741208] [GtoPdb: 1770] [UniProtKB: Q96P20]
ChEMBL Inhibition of NLRP3 inflammasome activation in LPS-primed human PMA-differentiated THP-1 cells assessed as reduction in nigericin-induced IL-1beta level preincubated for 30 mins followed by nigericin addition and measured after 1 hrs by Western blot analysis B 4.62 pIC50 24200 nM IC50 J Nat Prod (2020) 83: 2950-2959 [PMID:32989985]
nuclear factor, erythroid 2 like 2/Nuclear factor erythroid 2-related factor 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075094] [GtoPdb: 3057] [UniProtKB: Q16236]
ChEMBL Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs by ARE-driven luciferase reporter gene assay B 4.68 pEC50 21000 nM EC50 Eur J Med Chem (2018) 143: 854-865 [PMID:29223100]
Plasmodium falciparum 3D7 (target type: ORGANISM) [ChEMBL: CHEMBL2366922]
ChEMBL Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 after 24 hrs by [3H]hypoxanthine labeling method F 4.6 pIC50 25000 nM IC50 Medchemcomm (2016) 7: 214-223
mPGES1/Prostaglandin E synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5658] [GtoPdb: 1377] [UniProtKB: O14684]
ChEMBL Inhibition of mPGES1 in human A549 cell microsomal membrane using pGH2 as substrate pretreated for 15 mins followed by substrate addition and measured after 1 min by RP-HPLC method B 6.52 pIC50 300 nM IC50 Eur J Med Chem (2018) 153: 2-28 [PMID:29329790]
ChEMBL Inhibition of mPGES-1 in human IL-1beta-stimulated A549 cell microsomes assessed as reduction of PGE2 formation from PGH2 preincubated for 15 mins by HPLC analysis B 6.66 pIC50 220 nM IC50 J Nat Prod (2015) 78: 2867-2879 [PMID:26588603]
ChEMBL Inhibition of microsomal PGES1 in ILbeta-stimulated human A549 cells using PGH2 as substrate preincubated for 15 mins followed by substrate addition measured after 1 min by RP-HPLC analysis B 6.7 pIC50 200 nM IC50 Medchemcomm (2015) 6: 2081-2123
proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome in human HCT-116 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis B 5 pIC50 10000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome in human SW480 cells assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 24 hrs followed by addition of substrate and measured after 2 hrs by fluorometric analysis B 5 pIC50 10000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
Rhodesain in Trypanosoma brucei rhodesiense (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4188] [UniProtKB: Q95PM0]
ChEMBL Inhibition of Trypanosoma brucei rhodesain using Cbz-Phe-Arg-AMC as substrate incubated for 30 mins by fluorometric assay B 5.11 pIC50 7750 nM IC50 ACS Med Chem Lett (2020) 11: 806-810 [PMID:32435388]
Sarcoplasmic/endoplasmic reticulum calcium ATP-ase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4693] [UniProtKB: P04191]
ChEMBL Inhibition of rabbit SERCA1b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 5.24 pKi 5800 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of rabbit skeletal muscle microsomes SERCA1a by enzyme-coupled method B 5.52 pIC50 3000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA2/Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3901] [GtoPdb: 841] [UniProtKB: P16615]
ChEMBL Inhibition of human SERCA2b expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 4.28 pKi 53000 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of SERCA2b in human platelet microsomes by enzyme-coupled method B 5.15 pIC50 7000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
SERCA3/Sarcoplasmic/endoplasmic reticulum calcium ATPase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2401] [GtoPdb: 842] [UniProtKB: Q93084]
ChEMBL Inhibition of human SERCA3a expressed in COS7 cells microsomal membranes preincubated for 10 mins followed by addition of ATP and measured after 40 mins by ELISA method B 5.07 pKi 8600 nM Ki J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
ChEMBL Inhibition of SERCA3 in human platelet microsomes by enzyme-coupled method B 5.15 pIC50 7000 nM IC50 J Med Chem (2020) 63: 1937-1963 [PMID:32030976]
p21 (RAC1) activated kinase 1/Serine/threonine-protein kinase PAK 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4600] [GtoPdb: 2133] [UniProtKB: Q13153]
ChEMBL Inhibition of recombinant human PAK1 by ADP-Glo kinase assay B 4.8 pIC50 16000 nM IC50 Eur J Med Chem (2017) 142: 229-243 [PMID:28814374]
Sortase A in Streptococcus mutans (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523939] [UniProtKB: Q8CM62]
ChEMBL Binding affinity to Streptococcus mutans Sortase A B 4.99 pIC50 10200 nM IC50 Medchemcomm (2019) 10: 1057-1067 [PMID:31391878]
tyrosinase/Tyrosinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1973] [GtoPdb: 2643] [UniProtKB: P14679]
ChEMBL Inhibition of tyrosinase in human melanocyte cells using L-DOPA as substrate by absorbance method B 5.3 pIC50 5000 nM IC50 J Med Chem (2020) 63: 13428-13443 [PMID:32787103]
SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3074] [GtoPdb: 2206] [UniProtKB: P05480]
ChEMBL Inhibition of Src in mouse BV2 cells assessed as suppression of LPS-induced NO release preincubated for 1 hr followed by LPS addition measured after 24 hrs by Griess assay B 5.66 pIC50 2200 nM IC50 J Med Chem (2016) 59: 9062-9079 [PMID:27617803]
TRPV4 in Human [GtoPdb: 510] [UniProtKB: Q9HBA0]
GtoPdb - - 5.18 pEC50 6600 nM EC50 J Cardiovasc Transl Res (2019) 12: 600-607 [PMID:31664615]

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]