curcumin [Ligand Id: 7000] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL140 |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4235] [GtoPdb: 2763] [UniProtKB: P28845] | ||||||||
| ChEMBL | Inhibition of human 11beta-HSD1 incubated for 2 hrs | B | 5.64 | pIC50 | 2295 | nM | IC50 | Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493] |
| hydroxysteroid 11-beta dehydrogenase 1/11-beta-hydroxysteroid dehydrogenase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2391] [GtoPdb: 2763] [UniProtKB: P16232] | ||||||||
| ChEMBL | Inhibition of rat 11beta-HSD1 expressed in Leydig cells incubated for 2 hrs | B | 5.24 | pIC50 | 5785 | nM | IC50 | Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493] |
| hydroxysteroid 11-beta dehydrogenase 2/11-beta-hydroxysteroid dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3746] [GtoPdb: 3143] [UniProtKB: P80365] | ||||||||
| ChEMBL | Inhibition of human 11beta-HSD2 incubated for 2 hrs | B | 4.84 | pIC50 | 14560 | nM | IC50 | Eur J Med Chem (2020) 191: 112134-112134 [PMID:32088493] |
| 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] |
| synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [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 (unknown origin) aggregation incubated for 72 hrs by ThT-based fluorescence analysis | B | 5.48 | pIC50 | 3300 | nM | IC50 | Bioorg Med Chem (2023) 96: 117529-117529 [PMID:37976808] |
| 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] |
| Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
| ChEMBL | Inhibition of amyloid beta 42 (unknown origin) aggregation incubated for 24 hrs by ThT assay | B | 4.61 | pIC50 | 24400 | nM | IC50 | J Nat Prod (2023) 86: 2162-2170 [PMID:37615114] |
| 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 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 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 amyloid beta 42 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635] |
| ChEMBL | Inhibition of amyloid beta 40 secretion transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635] |
| 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 (unknown origin) | B | 5.27 | pIC50 | 5400 | nM | IC50 | RSC Med Chem (2023) 14: 2535-2563 [PMID:38107170] |
| 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 amyloid beta 40 (unknown origin) assessed as disaggregation of fibrillar amyloid beta 40 incubated for 3 days by ELISA assay | B | 6 | pIC50 | 1000 | nM | IC50 | Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635] |
| ChEMBL | Inhibition of amyloid beta (unknown origin) incubated for 7 days by sandwich ELISA | B | 6.05 | pIC50 | 900 | nM | IC50 | Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635] |
| 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] |
| ChEMBL | Inhibition of amyloid beta 42 transfected in human H4 cells incubated for 20 to 24 hrs by LPECL assay | B | 6.97 | pIC50 | 107 | nM | IC50 | Eur J Med Chem (2021) 214: 113209-113209 [PMID:33548635] |
| 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] |
| ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
| ChEMBL | Inhibition of ABCG2 (unknown origin) expressed in human MCF7-VP cells mediated mitoxantrone efflux assessed as intracellular mitoxantrone level and measured after 45 mins by flow cytometry analysis | B | 5.79 | pIC50 | 1630 | nM | IC50 | Eur J Med Chem (2022) 237: 114346-114346 [PMID:35483322] |
| Sodium/bile acid and sulphated solute cotransporter 1/Bile acid transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5287] [GtoPdb: 959] [UniProtKB: Q14973] | ||||||||
| ChEMBL | Binding affinity to human NTCP assessed as dissociation constant by isothermal titration calorimetry | B | 4.19 | pKd | 64300 | nM | Kd | J Med Chem (2022) 65: 12546-12561 [PMID:36111355] |
| 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] |
| casein kinase 1 epsilon/Casein kinase I epsilon in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4937] [GtoPdb: 1998] [UniProtKB: P49674] | ||||||||
| ChEMBL | Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| 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] |
| cyclin dependent kinase 5/Cyclin-dependent kinase 5/CDK5 activator 1 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL1907600] [GtoPdb: 1977] [UniProtKB: Q00535, Q15078] | ||||||||
| ChEMBL | Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| D-amino-acid oxidase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6172] [UniProtKB: P00371] | ||||||||
| ChEMBL | Inhibition of porcine kidney DAAO using D-serine as substrate assessed as H2O2 formation by amplex red and peroxidase-coupled continuous fluorescence spectrophotometric analysis | B | 5.97 | pIC50 | 1070 | nM | IC50 | Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034] |
| ChEMBL | Inhibition of porcine kidney DAAO using D-serine as substrate by Amplex red and horseradish peroxidase fluorescence assay | B | 5.97 | pIC50 | 1070 | nM | IC50 | Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486] |
| CDC like kinase 1/Dual specificity protein kinase CLK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4224] [GtoPdb: 1990] [UniProtKB: P49759] | ||||||||
| ChEMBL | Binding affinity to human CLK1 assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay | B | 6 | pKd | >1000 | nM | Kd | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of recombinant human CLK1 expressed in Sf9 insect cells using myelin basic protein as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay | B | 5.31 | pIC50 | 4921 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 2/Dual specificity protein kinase CLK2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4225] [GtoPdb: 1991] [UniProtKB: P49760] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 3/Dual specificity protein kinase CLK3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4226] [GtoPdb: 1992] [UniProtKB: P49761] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| CDC like kinase 4/Dual specificity protein kinase CLK4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4203] [GtoPdb: 1993] [UniProtKB: Q9HAZ1] | ||||||||
| ChEMBL | Inhibition of recombinant human CLK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5.01 | pIC50 | 9749 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 1A/Dual-specificity tyrosine-phosphorylation regulated kinase 1A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2292] [GtoPdb: 2009] [UniProtKB: Q13627] | ||||||||
| ChEMBL | Binding affinity to human DYRK1A assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay | B | 6 | pKd | >1000 | nM | Kd | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of recombinant human DYRK1A expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of recombinant human DYRK1A expressed in Escherichia coli using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay | B | 6.52 | pIC50 | 300 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 1B/Dual specificity tyrosine-phosphorylation-regulated kinase 1B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5543] [GtoPdb: 2010] [UniProtKB: Q9Y463] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of recombinant human DYRK1B expressed in Sf9 insect cells using DYRKtide peptide as substrate incubated for 110 mins in presence of ATP by non-radioactive ADP-Glo luminescence microplate reader assay | B | 6.83 | pIC50 | 147.7 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 2/Dual-specificity tyrosine-phosphorylation regulated kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4376] [GtoPdb: 2011] [UniProtKB: Q92630] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK2 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5.98 | pIC50 | 1058 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| ChEMBL | Inhibition of N-terminal 6his tagged/ TEV fused full length human DYRK2 expressed in Escherichia coli BL21 (DE3) cells using KKISGRLSPIMTEQ as substrate incubated for 30 mins in presence of ATP | B | 8.3 | pIC50 | 5 | nM | IC50 | J Med Chem (2023) 66: 16235-16256 [PMID:38033250] |
| ChEMBL | Inhibition of human GST-tagged DYRK2 expressed in Escherichia coli BL21 (DE3) using woodtide as substrate in presence of [gamma33-P]ATP incubated for 30 mins by Scintillation counter analysis | B | 8.6 | pIC50 | 2.5 | nM | IC50 | J Med Chem (2023) 66: 4215-4230 [PMID:36800260] |
| dual specificity tyrosine phosphorylation regulated kinase 3/Dual-specificity tyrosine-phosphorylation regulated kinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4575] [GtoPdb: 2012] [UniProtKB: O43781] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK3 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5.37 | pIC50 | 4264 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| dual specificity tyrosine phosphorylation regulated kinase 4/Dual specificity tyrosine-phosphorylation-regulated kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075115] [GtoPdb: 2013] [UniProtKB: Q9NR20] | ||||||||
| ChEMBL | Inhibition of recombinant human DYRK4 expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| 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] |
| Glutathione-S-transferase in Schistosoma japonicum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4105850] [UniProtKB: Q26513] | ||||||||
| ChEMBL | Inhibition of Schistosoma japonicum GST by spectrophotometric analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | J Med Chem (2023) 66: 11118-11132 [PMID:37552553] |
| Glutathione S-transferase Mu 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4589] [UniProtKB: P28161] | ||||||||
| ChEMBL | Inhibition of human GSTM2 by spectrophotometric analysis | B | 5.74 | pIC50 | 1810 | nM | IC50 | J Med Chem (2023) 66: 11118-11132 [PMID:37552553] |
| glycogen synthase kinase 3 beta/Glycogen synthase kinase-3 beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL262] [GtoPdb: 2030] [UniProtKB: P49841] | ||||||||
| ChEMBL | Binding affinity to human GSK-3beta assessed as equilibrium dissociation constant measured upto 240 min by TR-FRET assay | B | 5 | pKd | >10000 | nM | Kd | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| 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] |
| ChEMBL | Inhibition of recombinant human GSK-3beta expressed in Sf9 insect cells incubated for 60 mins in presence of ATP and [gamma33-P] ATP by radiometric scintillation counter analysis | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2023) 66: 4106-4130 [PMID:36876904] |
| 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] |
| ChEMBL | Inhibition of tau phosphorylation (unknown origin) | B | 5.52 | pIC50 | 3000 | nM | IC50 | RSC Med Chem (2023) 14: 2535-2563 [PMID:38107170] |
| 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] |
| ChEMBL | Inhibition of recombinant human MAO-A using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis | B | 5.56 | pIC50 | 2740 | nM | IC50 | Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034] |
| ChEMBL | Inhibition of human recombinant MAO-A assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry | B | 5.56 | pIC50 | 2740 | nM | IC50 | Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486] |
| 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 MAO-B using using kynuramine as substrate assessed as inhibition of 4-hydroxyquinoline formation incubated for 20 mins by fluorescence spectrophotometric analysis | B | 5.59 | pIC50 | 2580 | nM | IC50 | Bioorg Med Chem Lett (2022) 77: 129038-129038 [PMID:36307034] |
| ChEMBL | Inhibition of human recombinant MAO-B assessed as inhibition of 4-hydroxyquinoline formation using kynuramine as substrate incubated for 20 mins by fluorescence spectrophotometry | B | 5.59 | pIC50 | 2580 | nM | IC50 | Bioorg Med Chem (2022) 73: 117030-117030 [PMID:36179486] |
| 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 (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
| 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 S.aureus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5362] [UniProtKB: Q9S446] | ||||||||
| ChEMBL | Inhibition of Staphylococcus aureus SrtA using EDANS-Dabcyl as substrate by FRET assay | B | 4.43 | pIC50 | 37500 | nM | IC50 | J Med Chem (2021) 64: 13097-13130 [PMID:34516107] |
| 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] |
| ChEMBL | Inhibition of recombinant Staphylococcus mutans UA159 SrtA using Dabcyl-QALPETGEE-Edans as substrate incubated for 1 hr by fluorometric analysis | B | 4.99 | pIC50 | 10200 | nM | IC50 | J Med Chem (2021) 64: 13097-13130 [PMID:34516107] |
| 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 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]
