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ChEMBL ligand: CHEMBL31574 (5-desoxyquercetin, C.i. 75620, C.i. natural brown 1, Fisetin, Fisidenolon 1521, NSC-407010, NSC-656275) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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3-oxoacyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4513] [UniProtKB: Q965D6] | ||||||||
ChEMBL | Inhibition of FabG | B | 5.39 | pIC50 | 4100 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL220] [GtoPdb: 2465] [UniProtKB: P22303] | ||||||||
ChEMBL | Inhibition of AChE (unknown origin) | B | 7.92 | pIC50 | 12 | nM | IC50 | Med Chem Res (2013) 22: 3061-3075 |
Alpha-glucosidase MAL62 in Saccharomyces cerevisiae (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4357] [UniProtKB: P07265] | ||||||||
ChEMBL | Inhibition of baker's yeast alpha-glucosidase using p-nitrophenyl-alpha-D-glucopyranoside as substrate by spectrophotometry | B | 1.11 | pIC50 | 1.11 | - | logIC50 | Med Chem Res (2012) 21: 3984-3993 |
Amyloid-beta A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
ChEMBL | Inhibition of amyloid beta (1 to 42) (unknown origin) fibril formation incubated for 1 hr by thioflavin-T fluorescence assay | B | 4.9 | pIC50 | 12500 | nM | IC50 | Eur J Med Chem (2018) 152: 570-589 [PMID:29763806] |
12S-LOX/Arachidonate 12-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3687] [GtoPdb: 1387] [UniProtKB: P18054] | ||||||||
ChEMBL | Inhibition of 12-hLO | B | 6.02 | pIC50 | 950 | nM | IC50 | Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117] |
15-LOX-1/Arachidonate 15-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050] | ||||||||
ChEMBL | Inhibition of 15-hLO1 | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117] |
15-LOX-2/Arachidonate 15-lipoxygenase, type II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2457] [GtoPdb: 1389] [UniProtKB: O15296] | ||||||||
ChEMBL | Inhibition of 15-hLO2 | B | 4 | pIC50 | >100000 | nM | IC50 | Bioorg Med Chem (2007) 15: 7408-7425 [PMID:17869117] |
Arginase I/Arginase-1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3232699] [GtoPdb: 1244] [UniProtKB: P07824] | ||||||||
ChEMBL | Inhibition of recombinant rat liver arginase expressed without histidine tail assessed as urea formation using L-arginine as substrate after 15 mins by Berthelot assay | B | 5.85 | pIC50 | 1400 | nM | IC50 | Medchemcomm (2016) 7: 214-223 |
butyrylcholinesterase/Butyrylcholinesterase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1914] [GtoPdb: 2471] [UniProtKB: P06276] | ||||||||
ChEMBL | Inhibition of human plasma BChE by Ellman's method | B | 4.05 | pKi | 90000 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
casein kinase 2, alpha prime polypeptide subunit/casein kinase 2, beta polypeptide subunit/casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II in Human (target type: PROTEIN COMPLEX GROUP) [ChEMBL: CHEMBL2095191] [GtoPdb: 1550, 1551, 1549] [UniProtKB: P19784, P67870, P68400] | ||||||||
ChEMBL | Inhibition of CK2 (unknown origin) | B | 6.77 | pKi | 170 | nM | Ki | Eur J Med Chem (2016) 115: 148-160 [PMID:27017545] |
ChEMBL | Inhibition of recombinant human CK2 expressed in Escherichia coli using RRRADDSDDDDD as substrate after 10 mins | B | 6 | pIC50 | <1000 | nM | IC50 | J Med Chem (2015) 58: 7400-7408 [PMID:26322379] |
ChEMBL | Inhibition of CK2 (unknown origin) | B | 6.46 | pIC50 | 350 | nM | IC50 | Bioorg Med Chem (2013) 21: 6681-6689 [PMID:24011954] |
casein kinase 2, alpha 1 polypeptide subunit/Casein kinase II alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3629] [GtoPdb: 1549] [UniProtKB: P68400] | ||||||||
ChEMBL | Inhibition of CK2alpha (unknown origin) | B | 6.46 | pKi | 350 | nM | Ki | Eur J Med Chem (2019) 181: 111581-111581 [PMID:31400711] |
Cruzipain in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3563] [UniProtKB: P25779] | ||||||||
ChEMBL | Inhibition of Trypanosoma cruzi cruzain by quantitative high throughput screening | B | 4.22 | pIC50 | >60000 | nM | IC50 | J Med Chem (2010) 53: 37-51 [PMID:19908840] |
ChEMBL | Inhibition of Trypanosoma cruzi cruzain by Flexstation microplate spectrofluorimetry | B | 4.52 | pIC50 | 30000 | nM | IC50 | J Med Chem (2010) 53: 37-51 [PMID:19908840] |
cyclin dependent kinase 1/Cyclin-dependent kinase 1/cyclin B in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL2094127] [GtoPdb: 1961] [UniProtKB: O95067, P06493, P14635, Q8WWL7] | ||||||||
ChEMBL | Inhibition of cyclin-dependent kinase 1/cyclinB | B | 6.1 | pIC50 | 790 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
cyclin dependent kinase 2/Cyclin-dependent kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL301] [GtoPdb: 1973] [UniProtKB: P24941] | ||||||||
ChEMBL | Inhibition of CDK2 | B | 5.3 | pIC50 | 5000 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 1284-1287 [PMID:17178224] |
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 Cyclin-dependent kinase 5-p25nck5a | B | 6.24 | pIC50 | 570 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
cyclin dependent kinase 6/Cyclin-dependent kinase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2508] [GtoPdb: 1978] [UniProtKB: Q00534] | ||||||||
ChEMBL | Inhibition of human cyclin-dependent kinase 6 complex with a virus-encoded cyclin from herpesvirus saimiri (Vcyclin) | B | 6.07 | pIC50 | 850 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
ChEMBL | Inhibition of Homo sapiens (human) cyclin-dependent kinase 6 | B | 6.07 | pIC50 | 850 | nM | IC50 | Med Chem Res (2010) 19: 817-835 |
Enoyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5] | ||||||||
ChEMBL | Inhibition of FabI | B | 6 | pIC50 | 1000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of Plasmodium falciparum FabI | B | 6 | pIC50 | 1000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4779-4781 [PMID:20637612] |
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7] | ||||||||
ChEMBL | Inhibition of FabZ | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
ChEMBL | Inhibition constant of compound against binding of Yeast Glyoxalase I | B | 4.88 | pKi | 13182.57 | nM | Ki | J Med Chem (1988) 31: 1396-1406 [PMID:3290487] |
histone deacetylase 6/Histone deacetylase 6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7] | ||||||||
ChEMBL | Determination of IC50 values for inhibition of enzymatic assay of human HDAC6 with custom peptide substrate | B | 5.64 | pIC50 | 2308 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1] | ||||||||
ChEMBL | IC50 was measured as concentration required to inhibit 50% of HIV-integrase cleavage | B | 4.55 | pIC50 | 28400 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
ChEMBL | IC50 was measured as concentration required to inhibit 50% of HIV-integrase integration | B | 5.07 | pIC50 | 8500 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 5.09 | pIC50 | 8200 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 5.09 | pIC50 | 8200 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4779-4781 [PMID:20637612] |
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | F | 5.19 | pIC50 | 6500 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
pyruvate kinase M1/2/Pyruvate kinase isozymes M1/M2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075189] [GtoPdb: 3006] [UniProtKB: P14618] | ||||||||
ChEMBL | Inhibition of recombinant PKM2 (unknown origin) Gly128, Asp177, Asp178, Ser362, Hie78, Be51, Asn75 residues | B | 6.05 | pIC50 | 900 | nM | IC50 | J Med Chem (2022) 65: 1171-1205 [PMID:34726055] |
ChEMBL | Inhibition of PKM2 (unknown origin) | B | 6.05 | pIC50 | 900 | nM | IC50 | RSC Med Chem (2021) 12: 1121-1141 [PMID:34355179] |
Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6] | ||||||||
ChEMBL | Inhibition of human salivary alpha-amylase | B | 4.71 | pIC50 | 19600 | nM | IC50 | J Med Chem (2008) 51: 3555-3561 [PMID:18507367] |
Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase PIM1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2147] [GtoPdb: 2158] [UniProtKB: P11309] | ||||||||
ChEMBL | Inhibition of PIM1 kinase | B | 0.07 | pIC50 | 0.07 | uM | -Log IC50 | Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507] |
OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956] | ||||||||
ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 5.17 | pIC50 | 6760.83 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
ChEMBL | Inhibition of human OATP2B1 expressed in Flp-In-CHO cells assessed as inhibition of OATP2B1 mediated DBF uptake using DBF as fluorescent substrate incubated for 2 mins by BCA assay | B | 5.17 | pIC50 | 6700 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2599] [GtoPdb: 2230] [UniProtKB: P43405] | ||||||||
ChEMBL | Inhibition of SYK | B | 4.82 | pIC50 | 15000 | nM | IC50 | J Med Chem (2012) 55: 3614-3643 [PMID:22257213] |
ChEMBL | Inhibition of SYK in human mast cells assessed as reduction in mast cell degranulation | B | 4.72 | pEC50 | 19000 | nM | EC50 | J Med Chem (2012) 55: 3614-3643 [PMID:22257213] |
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
ChEMBL | Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | B | 5.36 | pIC50 | 4330 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
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]