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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 |
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acetylcholinesterase (Cartwright 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 |