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ChEMBL ligand: CHEMBL151 (Cyanidenon-1470, Digitoflavone, Flacitran, Luteolin, Luteoline, Luteolol, Salifazide, Weld lake, Yama kariyasu) |
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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 in presence of acetoacetyl-CoA | B | 5.74 | pKi | 1800 | nM | Ki | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of FabG in presence of NADPH | B | 6.1 | pKi | 800 | nM | Ki | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of FabG | B | 5.4 | pIC50 | 4000 | 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 human recombinant AChE by Ellman's method | B | 4.18 | pKi | 65800 | nM | Ki | Eur J Med Chem (2010) 45: 186-192 [PMID:19879672] |
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099] | ||||||||
ChEMBL | Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane | B | 5.78 | pKi | 1660 | nM | Ki | J Nat Prod (2000) 63: 315-317 [PMID:10757709] |
ChEMBL | Displacement of [3H]DPCPX from adenosine A1 receptor in rat brain cortex membrane in presence of 0.5 mM GTP | B | 5.81 | pKi | 1550 | nM | Ki | J Nat Prod (2000) 63: 315-317 [PMID:10757709] |
Aldo-keto reductase family 1 member B10 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5983] [UniProtKB: O60218] | ||||||||
ChEMBL | Inhibition of recombinant human N-terminal His6-tagged AKR1B10 expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method | B | 5.04 | pIC50 | 9200 | nM | IC50 | J Nat Prod (2015) 78: 2666-2674 [PMID:26529431] |
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121] | ||||||||
ChEMBL | Inhibition of recombinant N-terminal His6-tagged AKR1B1 (unknown origin) expressed in Escherichia coli BL21 cells using all-trans-retinal as substrate incubated for 15 mins by HPLC method | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Nat Prod (2015) 78: 2666-2674 [PMID:26529431] |
ChEMBL | Inhibition of human recombinant aldose reductase | B | 6.22 | pIC50 | 600 | nM | IC50 | Bioorg Med Chem (2013) 21: 4301-4310 [PMID:23683835] |
Aldose reductase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3081] [UniProtKB: P16116] | ||||||||
ChEMBL | Inhibition of ALR2 (aldose reductase) of bovine lens | B | 5.02 | pIC50 | 9570 | nM | IC50 | J Med Chem (1999) 42: 1881-1893 [PMID:10354396] |
ChEMBL | Inhibition of bovine lens aldose reductase using DL-glyceraldehyde as substrate assessed as NADPH oxidation measured for 10 mins by spectrophotometric analysis | B | 6.12 | pIC50 | 754 | nM | IC50 | Bioorg Med Chem (2013) 21: 4301-4310 [PMID:23683835] |
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943] | ||||||||
ChEMBL | Inhibition of rat lens aldose reductase | B | 5.81 | pIC50 | 1540 | nM | IC50 | J Nat Prod (2008) 71: 713-715 [PMID:18298080] |
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 | 1.32 | pIC50 | 1.32 | - | logIC50 | Med Chem Res (2012) 21: 3984-3993 |
Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840] | ||||||||
ChEMBL | Inhibition of human alpha-synuclein filament formation expressed in Escherichia coli BL21(DE3) cells incubated for 72 hrs by thioflavin S based fluorescence assay | B | 4.55 | pIC50 | 28000 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
15-LOX-1/Arachidonate 15-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2903] [GtoPdb: 1388] [UniProtKB: P16050] | ||||||||
ChEMBL | Inhibition of 15-LOX (unknown origin) | B | 5.3 | pIC50 | 5000 | nM | IC50 | J Nat Prod (2016) 79: 2898-2902 [PMID:27802026] |
5-LOX/Arachidonate 5-lipoxygenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL215] [GtoPdb: 1385] [UniProtKB: P09917] | ||||||||
ChEMBL | Inhibition of 5-LOX-mediated LTB4 production in human neutrophils using arachidonic acid as substrate preincubated for 10 mins followed by substrate addition measured after 8 mins by enzyme immunoassay | B | 5.8 | pIC50 | 1600 | nM | IC50 | Eur J Med Chem (2014) 72: 137-145 [PMID:24368208] |
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 | 5.05 | pIC50 | 9000 | nM | IC50 | Medchemcomm (2016) 7: 214-223 |
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 expressed in human NCI-H460 cells assessed as inhibition of PhA accumulation after 2 to 20 hrs relative to fumitremorgin C | B | 5.05 | pIC50 | 8900 | nM | IC50 | J Nat Prod (2011) 74: 262-266 [PMID:21275386] |
Beta amyloid A4 protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2487] [UniProtKB: P05067] | ||||||||
ChEMBL | Inhibition of amyloid beta1-42 (unknown origin) aggregation assessed as amyloid fibril formation tested after 17 hrs by thioflavin T fluorescence method | B | 5.19 | pIC50 | 6400 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 3108-3112 [PMID:24878198] |
carbonic anhydrase 1/Carbonic anhydrase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL261] [GtoPdb: 2597] [UniProtKB: P00915] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5 | pKi | >10000 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 2/Carbonic anhydrase II in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL205] [GtoPdb: 3092] [UniProtKB: P00918] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 5.43 | pKi | 3691.6 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 4/Carbonic anhydrase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3729] [GtoPdb: 2599] [UniProtKB: P22748] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 4 | B | 6.53 | pKi | 293 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 7/Carbonic anhydrase VII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2326] [GtoPdb: 2749] [UniProtKB: P43166] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 8.33 | pKi | 4.7 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
carbonic anhydrase 12/Carbonic anhydrase XII in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3242] [GtoPdb: 2747] [UniProtKB: O43570] | ||||||||
ChEMBL | Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay | B | 7.22 | pKi | 60.3 | nM | Ki | Bioorg Med Chem (2015) 23: 7219-7225 [PMID:26498393] |
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 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] |
casein kinase 2, alpha prime polypeptide subunit/casein kinase 2, beta polypeptide subunit/Casein kinase II alpha`/ beta in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3883328] [GtoPdb: 1550, 1551] [UniProtKB: P19784, P67870] | ||||||||
ChEMBL | Inhibition of human recombinant CK2 alpha'/beta holoenzyme using alpha-casein as substrate after 10 mins in presence of [gamma-33P]-ATP by scintillation counting analysis | B | 6 | pIC50 | 1000 | nM | IC50 | US-20130225674-A1. Use of dibenzofuranone derivatives to inhibit kinases (2013) |
Cruzipain in Trypanosoma cruzi (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3563] [UniProtKB: P25779] | ||||||||
ChEMBL | Inhibition of Trypanosoma cruzi cruzaine using Z-Phe-Arg-aminomethylcoumarin as substrate incubated for 5 mins by spectrofluorimetric analysis in absence of Tween-80 | B | 4.56 | pIC50 | 27300 | nM | IC50 | J Med Chem (2013) 56: 2406-2414 [PMID:23437772] |
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 | 5.21 | pIC50 | 6200 | 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 | 4.7 | pIC50 | 20000 | 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 | 5.42 | pIC50 | 3800 | nM | IC50 | J Med Chem (2005) 48: 737-743 [PMID:15689157] |
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
ChEMBL | Inhibition of recombinant human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate preincubated for 5 mins followed by substrate addition in presence of NADPH by fluorimetric analysis | B | 6.44 | pIC50 | 360 | nM | IC50 | Eur J Med Chem (2017) 135: 296-306 [PMID:28458135] |
ChEMBL | Inhibition of human CYP1B1 by EROD assay | B | 7.1 | pIC50 | 79 | nM | IC50 | Bioorg Med Chem (2010) 18: 6310-6315 [PMID:20696580] |
Cytosol aminopeptidase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5624] [UniProtKB: P28839] | ||||||||
ChEMBL | Inhibition of pig kidney cytosolic Leucyl aminopeptidase | B | 4.3 | pIC50 | 49600 | nM | IC50 | J Nat Prod (1995) 58: 823-829 [PMID:7673925] |
death associated protein kinase 1/Death-associated protein kinase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2558] [GtoPdb: 2002] [UniProtKB: P53355] | ||||||||
ChEMBL | Displacement of ANS from DAPK1 catalytic domain (1 to 285) (unknown origin) after 30 mins by fluorescence assay | B | 4.68 | pIC50 | 21000 | nM | IC50 | J Med Chem (2015) 58: 7400-7408 [PMID:26322379] |
dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487] | ||||||||
ChEMBL | Inhibition of DPP4 (unknown origin) using Gly-Pro-AMC as substrate preincubated for 4 secs followed by substrate addition and measured after 30 mins by luminescence assay | B | 6.92 | pIC50 | 120 | nM | IC50 | Eur J Med Chem (2018) 151: 145-157 [PMID:29609120] |
DNA topoisomerase I/DNA topoisomerase 1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1075164] [GtoPdb: 2636] [UniProtKB: Q9WUL0] | ||||||||
ChEMBL | Inhibition of rat liver DNA topoisomerase 1 treated simultaneously with DNA | B | 5.3 | pIC50 | 5000 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2790-2796 [PMID:20371180] |
ChEMBL | Inhibition of rat liver DNA topoisomerase 1 preincubated before addition of DNA | B | 6.18 | pIC50 | 660 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 2790-2796 [PMID:20371180] |
DAT/Dopamine transporter in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL338] [GtoPdb: 927] [UniProtKB: P23977] | ||||||||
ChEMBL | Agonist activity at rat DAT expressed in CHO cells | F | 5.84 | pEC50 | 1450 | nM | EC50 | Bioorg Med Chem (2010) 18: 7842-7848 [PMID:20971650] |
Enoyl-[acyl-carrier-protein] reductase in Escherichia coli (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1857] [UniProtKB: P0AEK4] | ||||||||
ChEMBL | Inhibition of Escherichia coli MG1655 enoyl-ACP reductase overexpressed in Escherichia coli M15 assessed as oxidation of NADH to NAD+ after 5 mins | B | 5.15 | pKi | 7050 | nM | Ki | Bioorg Med Chem Lett (2010) 20: 56-59 [PMID:19959361] |
Enoyl-acyl-carrier protein reductase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4150] [UniProtKB: Q965D5] | ||||||||
ChEMBL | Inhibition of FabI | B | 5.68 | pKi | 2100 | nM | Ki | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of FabI | B | 5.7 | pIC50 | 2000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of Plasmodium falciparum FabI | B | 5.7 | pIC50 | 2000 | 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 | 4.94 | pKi | 11500 | nM | Ki | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Inhibition of FabZ | B | 5.3 | pIC50 | 5000 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
fatty acid synthase/Fatty acid synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4158] [GtoPdb: 2608] [UniProtKB: P49327] | ||||||||
ChEMBL | Inhibition of FAS | B | 4.2 | pIC50 | 62500 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4738-4742 [PMID:16870425] |
GATA4/NKX2-5 in Mouse (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106137] [UniProtKB: P42582, Q08369] | ||||||||
ChEMBL | Inhibition of mouse GATA4/NKX2-5 transcriptional synergy expressed in African green monkey COS-1 cells measured after 30 hrs by dual luciferase reporter gene assay | B | 4.66 | pIC50 | 22000 | nM | IC50 | J Med Chem (2017) 60: 7781-7798 [PMID:28858485] |
Genome polyprotein in Zika virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523954] [UniProtKB: A0A024AXB9] | ||||||||
ChEMBL | Inhibition of Zika virus NS2B (1421 to 1469 residues) - NS3 (1503 to 1688 residues) expressed in Escherichia coli BL21(DE3) cells using Dabcyl-KTSAVLQSGFRKME-Edans as substrate after 11 mins by FRET assay | B | 4.28 | pIC50 | 53000 | nM | IC50 | J Med Chem (2020) 63: 470-489 [PMID:31549836] |
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 Homo sapiens (human) recombinant GSK3beta after 30 min by Kinase-Glo assay | B | 5.82 | pIC50 | 1500 | nM | IC50 | Med Chem Res (2013) 22: 3061-3075 |
Glyoxalase I in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2424] [UniProtKB: Q04760] | ||||||||
ChEMBL | Inhibition of human recombinant His-tagged Glyoxalase 1 expressed in Sf21-Baculovirus system | B | 5.11 | pIC50 | 7700 | nM | IC50 | Bioorg Med Chem (2008) 16: 3969-3975 [PMID:18258440] |
GPR35/G-protein coupled receptor 35 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1293267] [GtoPdb: 102] [UniProtKB: Q9HC97] | ||||||||
ChEMBL | Desensitization of GPR35 receptor in human HT-29 cells assessed as inhibition of zaprinast-induced dynamic mass redistribution after 10 mins | B | 4.73 | pIC50 | 18600 | nM | IC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
ChEMBL | Agonist activity at GPR35 receptor in human HT-29 cells after 10 mins by dynamic mass redistribution assay | F | 5.14 | pEC50 | 7240 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
ChEMBL | Agonist activity at GPR35 receptor in human U2OS cells coexpressing Gal4-VP16-TEV assessed as beta arrestin translocation after 5 hrs by beta lactamase reporter gene assay | F | 5.49 | pEC50 | 3200 | nM | EC50 | ACS Med Chem Lett (2012) 3: 165-169 [PMID:24900447] |
SET domain containing 7, histone lysine methyltransferase/Histone-lysine N-methyltransferase SETD7 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5523] [GtoPdb: 2703] [UniProtKB: Q8WTS6] | ||||||||
ChEMBL | Inhibition of human SET7 overexpressed in Escherichia coli BL21 (DE3) cells preincubated for 15 mins followed by addition of SAM as substrate and biotinylated Histone H3 (1-50) peptide measured after 30 mins by AlphaLISA assay relative to control | B | 5.22 | pIC50 | 6080 | nM | IC50 | Bioorg Med Chem (2020) 28: 115372-115372 [PMID:32088124] |
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 | 4.48 | pIC50 | 32900 | 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 | 4.6 | pIC50 | 25000 | nM | IC50 | J Med Chem (1995) 38: 890-897 [PMID:7699704] |
ChEMBL | Inhibition of recombinant HIV-1 integrase 3'-processing activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
ChEMBL | Inhibition of recombinant HIV-1 integrase strand transfer activity using 32P 5' end-labeled linear 21'mer as substrate preincubated for 30 mins prior to substrate challenge by phosphorimaging analysis | B | 5.05 | pIC50 | 8900 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
ChEMBL | Inhibition of His6-tagged HIV-1 integrase assessed as decrease in integrase-Flag-LEDGF/p75 interaction preincubated with enzyme for 30 mins followed by addition of Flag-LEDGF/p75 for 1 hr by AlphaScreen assay | B | 6.35 | pIC50 | 450 | nM | IC50 | Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743] |
Inositol hexakisphosphate kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523488] [UniProtKB: Q9UHH9] | ||||||||
ChEMBL | Inhibition of human IP6K2 using insP6 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | B | 5.89 | pIC50 | 1300 | nM | IC50 | J Med Chem (2019) 62: 1443-1454 [PMID:30624931] |
Inositol polyphosphate multikinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523401] [UniProtKB: Q8NFU5] | ||||||||
ChEMBL | Inhibition of human IPMK using insP3 as substrate preincubated for 15 mins followed by substrate and measured after 30 mins by TR-FRET assay | B | 5.26 | pIC50 | 5500 | nM | IC50 | J Med Chem (2019) 62: 1443-1454 [PMID:30624931] |
elastase, neutrophil expressed/Leukocyte elastase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL248] [GtoPdb: 2358] [UniProtKB: P08246] | ||||||||
ChEMBL | Noncompetitive inhibition of human neutrophil elastase using varying levels of MeOSuc-AAPV-pNA as substrate measured after 30 mins by double-reciprocal Lineweaver-Burk plot analysis | B | 5 | pKi | 10100 | nM | Ki | J Nat Prod (2017) 80: 2659-2665 [PMID:28968119] |
ChEMBL | Inhibition of human neutrophil elastase using MeOSuc-AAPV-pNA as substrate measured after 30 mins by spectrometric method | B | 4.9 | pIC50 | 12700 | nM | IC50 | J Nat Prod (2017) 80: 2659-2665 [PMID:28968119] |
CD38/Lymphocyte differentiation antigen CD38 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4660] [GtoPdb: 2766] [UniProtKB: P28907] | ||||||||
ChEMBL | Inhibition of human CD38 using 20 uM 1, N6-etheno NAD+ as substrate by continuous fluorimetric method | B | 5.09 | pIC50 | 8200 | nM | IC50 | Bioorg Med Chem Lett (2011) 21: 3939-3942 [PMID:21641214] |
MAPK interacting serine/threonine kinase 1/MAP kinase-interacting serine/threonine-protein kinase MNK1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4718] [GtoPdb: 2104] [UniProtKB: Q9BUB5] | ||||||||
ChEMBL | Inhibition of GST-tagged recombinant human full length MNK1 expressed in insect cells | B | 6.75 | pIC50 | 179 | nM | IC50 | J Nat Prod (2020) 83: 2967-2975 [PMID:33026809] |
MAPK interacting serine/threonine kinase 2/MAP kinase signal-integrating kinase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4204] [GtoPdb: 2105] [UniProtKB: Q9HBH9] | ||||||||
ChEMBL | Inhibition of N-terminal GST-tagged recombinant human full length MNK2 expressed in baculovirus expression system incubated for 1 hr by Kinase Tracer 236 based LanthaScreen Eu kinase binding assay relative to control | B | 6.24 | pIC50 | 579 | nM | IC50 | J Nat Prod (2020) 83: 2967-2975 [PMID:33026809] |
MMP12/Matrix metalloproteinase 12 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4393] [GtoPdb: 1636] [UniProtKB: P39900] | ||||||||
ChEMBL | Inhibition of human recombinant MMP12 catalytic domain incubated for 20 mins by fluorimetric assay | B | 6.01 | pIC50 | 980 | nM | IC50 | Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537] |
MMP13/Matrix metalloproteinase 13 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452] | ||||||||
ChEMBL | Inhibition of human recombinant MMP13 catalytic domain incubated for 20 mins by fluorimetric assay | B | 5 | pIC50 | 10050 | nM | IC50 | Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537] |
MMP2/Matrix metalloproteinase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
ChEMBL | Inhibition of human recombinant MMP2 catalytic domain incubated for 20 mins by fluorimetric assay | B | 5.44 | pIC50 | 3610 | nM | IC50 | Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537] |
MMP3/Matrix metalloproteinase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL283] [GtoPdb: 1630] [UniProtKB: P08254] | ||||||||
ChEMBL | Inhibition of human recombinant MMP3 catalytic domain incubated for 20 mins by fluorimetric assay | B | 4.79 | pIC50 | 16200 | nM | IC50 | Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537] |
MMP9/Matrix metalloproteinase 9 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL321] [GtoPdb: 1633] [UniProtKB: P14780] | ||||||||
ChEMBL | Inhibition of human recombinant MMP9 catalytic domain incubated for 20 mins by fluorimetric assay | B | 5.25 | pIC50 | 5620 | nM | IC50 | Bioorg Med Chem (2012) 20: 4164-4171 [PMID:22658537] |
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
ChEMBL | Inhibition of human MAOA | B | 5.31 | pIC50 | 4900 | nM | IC50 | Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650] |
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
ChEMBL | Inhibition of human MAOB | B | 4.22 | pIC50 | 59700 | nM | IC50 | Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650] |
NADPH oxidase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250375] [GtoPdb: 3004] [UniProtKB: Q9NPH5] | ||||||||
ChEMBL | Inhibition of NOX4 expressed in HEK293 FS cells assessed as H2O2 production by H2O2/Tyr/LPO assay | B | 6.07 | pIC50 | 850 | nM | IC50 | J Med Chem (2010) 53: 6758-6762 [PMID:20731357] |
Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2051] [UniProtKB: P03468] | ||||||||
ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 0.98 | pIC50 | 0.98 | - | logIC50 | Eur J Med Chem (2010) 45: 1724-1730 [PMID:20116898] |
Neuraminidase in Influenza A virus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0] | ||||||||
ChEMBL | Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase | B | 4.71 | pKi | 19600 | nM | Ki | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
ChEMBL | Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.27 | pIC50 | 53300 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
ChEMBL | Inhibition of Influenza A PR/8/34 H1N1 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.47 | pIC50 | 33700 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
ChEMBL | Inhibition of Influenza A Jinan/15/90 H3N2 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay | B | 4.49 | pIC50 | 32600 | nM | IC50 | Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042] |
ChEMBL | Noncompetitive inhibition of recombinant influenza A virus rvH1N1 A/Bervig_Mission/1/18 neuraminidase | B | 4.96 | pIC50 | 11000 | nM | IC50 | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
Peroxisome proliferator-activated receptor-γ/Peroxisome proliferator-activated receptor gamma in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2459] [GtoPdb: 595] [UniProtKB: P37238] | ||||||||
ChEMBL | Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with Gal4 reporter vector after 24 hrs by dual-luciferase reporter assay | B | 5.64 | pEC50 | 2300 | nM | EC50 | J Nat Prod (2014) 77: 1594-1600 [PMID:24955889] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: drug resistance (vincristine) in AML-2/D100 cells | F | 4.71 | pIC50 | 19600 | nM | IC50 | Biochem Biophys Res Commun (2004) 320: 672-679 [PMID:15240100] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.97 | pIC50 | 10700 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
ChEMBL | Antimalarial activity against chloroquine-sensitive Plasmodium falciparum NF54 | F | 4.97 | pIC50 | 10700 | nM | IC50 | Bioorg Med Chem Lett (2010) 20: 4779-4781 [PMID:20637612] |
ChEMBL | Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum K1 | F | 5.02 | pIC50 | 9600 | nM | IC50 | J Med Chem (2006) 49: 3345-3353 [PMID:16722653] |
poly(ADP-ribose) polymerase 1/Poly [ADP-ribose] polymerase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3105] [GtoPdb: 2771] [UniProtKB: P09874] | ||||||||
ChEMBL | Inhibition of human recombinant ARTD1 by fluorescence assay | B | 5.37 | pIC50 | 4265.8 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
ChEMBL | Inhibition of human recombinant ARTD1 by fluorescence assay | B | 5.38 | pIC50 | 4200 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
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 purified human 20S proteasome expressed in human Jurkat cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 2 hrs by fluorescence based method | B | 5.82 | pIC50 | 1500 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
ChEMBL | Inhibition of chymotrypsin-like activity of human 26S proteasome in human Jurkat cells assessed as decrease in AMC hydrolysis using Z-Gly-Gly-Leu-AMC as substrate after 24 hrs by fluorescence based method | B | 5.89 | pIC50 | 1300 | nM | IC50 | Eur J Med Chem (2019) 167: 291-311 [PMID:30776692] |
polybromo 1/Protein polybromo-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1795184] [GtoPdb: 2738] [UniProtKB: Q86U86] | ||||||||
ChEMBL | Binding affinity to N-terminal his6-tagged human PB1 bromodomain 5 expressed in Escherichia coli BL21 (DE3)-R3-pRARE2 at 15 uM by ITC method | B | 4.89 | pKd | 12900 | nM | Kd | J Med Chem (2016) 59: 8787-8803 [PMID:27617704] |
CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in SARS coronavirus (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5118] [GtoPdb: 3125, 3139, 3206] [UniProtKB: P0C6X7] | ||||||||
ChEMBL | Inhibition of SARS coronavirus 3C-like protease after 60 mins by FRET assay | B | 4.7 | pIC50 | 20000 | nM | IC50 | Bioorg Med Chem (2010) 18: 7940-7947 [PMID:20934345] |
Salivary alpha-amylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2478] [UniProtKB: P0DUB6] | ||||||||
ChEMBL | Inhibition of human salivary alpha-amylase | B | 4.74 | pIC50 | 18400 | nM | IC50 | J Med Chem (2008) 51: 3555-3561 [PMID:18507367] |
Seed lipoxygenase-1 in Glycine max (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4586] [UniProtKB: P08170] | ||||||||
ChEMBL | In vitro inhibitory activity against 15-lipoxygenase obtained from soybean | B | 5.49 | pIC50 | 3200 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 4842-4845 [PMID:16143531] |
ChEMBL | Inhibitory activity against soybean 15LOX | B | 5.49 | pIC50 | 3200 | nM | IC50 | J Med Chem (2006) 49: 1668-1683 [PMID:16509583] |
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 | 0.2 | pIC50 | -0.2 | uM | -Log IC50 | Bioorg Med Chem (2007) 15: 6463-6473 [PMID:17637507] |
TRPC5/Short transient receptor potential channel 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250411] [GtoPdb: 490] [UniProtKB: Q9UL62] | ||||||||
ChEMBL | Inhibition of human TRPC5 expressed in HEK293 cells assessed as reduction in gadolinium-induced calcium entry after 30 mins by fluo-4 dye based fluorescence assay | B | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2019) 62: 7589-7602 [PMID:30943030] |
Sialidase in Clostridium perfringens (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5189] [UniProtKB: P10481] | ||||||||
ChEMBL | Inhibition of Clostridium perfringens neuraminidase | B | 5.37 | pIC50 | 4300 | nM | IC50 | Bioorg Med Chem (2009) 17: 6816-6823 [PMID:19729316] |
tankyrase/Tankyrase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6164] [GtoPdb: 3108] [UniProtKB: O95271] | ||||||||
ChEMBL | Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay | B | 5.62 | pIC50 | 2400 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
ChEMBL | Inhibition of human 6XHis-tagged TNKS1 SAM-ART domain (1030 to 1317 amino acid residues) by fluorescence assay | B | 5.62 | pIC50 | 2398.83 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
tankyrase 2/Tankyrase-2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6154] [GtoPdb: 3109] [UniProtKB: Q9H2K2] | ||||||||
ChEMBL | Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay | B | 5.96 | pIC50 | 1100 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
ChEMBL | Inhibition of human 6XHis-tagged TNKS2 ART domain (946 to 1161 amino acid residues) expressed in Escherichia coli Rosetta2 (DE3) by fluorescence assay | B | 5.97 | pIC50 | 1071.52 | nM | IC50 | J Med Chem (2013) 56: 3507-3517 [PMID:23574272] |
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766] | ||||||||
ChEMBL | Binding affinity to TTR (unknown origin) by isothermal titration calorimetric analysis | B | 7.15 | pKd | 70 | nM | Kd | J Med Chem (2015) 58: 6507-6515 [PMID:26214366] |
ChEMBL | Binding affinity to TTR in human plasma assessed as protein stabilization preincubated for 1 hr followed by urea-mediated denaturation by Western blot analysis | B | 5.15 | pIC50 | 7000 | nM | IC50 | J Med Chem (2015) 58: 6507-6515 [PMID:26214366] |
ChEMBL | Inhibition of transthyretin V30M mutant (unknown origin) expressed in Escherichia coli assessed as inhibition of sodium acetate-mediated aggregation preincubated for 30 mins followed by sodium acetate addition measured after 96 hrs by thioflavin T assay | B | 5.19 | pIC50 | 6400 | nM | IC50 | J Med Chem (2014) 57: 1090-1096 [PMID:24422526] |
Trypsin I in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3769] [UniProtKB: P00760] | ||||||||
ChEMBL | Inhibitory concentration of the compounds against Bovine trypsin enzyme. | B | 4.45 | pIC50 | 35300 | nM | IC50 | J Med Chem (1997) 40: 4136-4145 [PMID:9406602] |
tyrosinase/Tyrosinase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1973] [GtoPdb: 2643] [UniProtKB: P14679] | ||||||||
ChEMBL | Inhibition of human tyrosinase expressed in HEK293 cells using L-tyrosine as substrate and DOPA as cofactor by indirect spectrophotometric method | B | 4.22 | pIC50 | 60000 | nM | IC50 | J Med Chem (2020) 63: 13428-13443 [PMID:32787103] |
fms related receptor tyrosine kinase 3/Tyrosine-protein kinase receptor FLT3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1974] [GtoPdb: 1807] [UniProtKB: P36888] | ||||||||
ChEMBL | Inhibition of recombinant FLT3 (unknown origin) by TR-FRET assay | B | 6.08 | pIC50 | 830 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 1768-1770 [PMID:23411073] |
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 | 4.92 | pIC50 | 12000 | 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 | 5.35 | pEC50 | 4500 | nM | EC50 | J Med Chem (2012) 55: 3614-3643 [PMID:22257213] |
YES proto-oncogene 1, Src family tyrosine kinase/Tyrosine-protein kinase YES in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073] [GtoPdb: 2284] [UniProtKB: P07947] | ||||||||
ChEMBL | Inhibition of YES (unknown origin) | B | 5.62 | pKi | 2380 | nM | Ki | Eur J Med Chem (2019) 166: 186-196 [PMID:30769179] |
Urease subunit alpha/Urease subunit beta in Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacterpylori) (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3885651] [UniProtKB: P14916, P69996] | ||||||||
ChEMBL | Inhibition of Helicobacter pylori ATCC 43504 urease-mediated ammonia production preincubated for 1.5 hrs by indophenol method | B | 4.45 | pIC50 | 35400 | nM | IC50 | Eur J Med Chem (2013) 63: 685-695 [PMID:23567958] |
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989] | ||||||||
ChEMBL | Inhibition of xanthine oxidase (unknown origin) | B | 5.54 | pKi | 2900 | nM | Ki | Eur J Med Chem (2014) 84: 206-239 [PMID:25019478] |
ChEMBL | Inhibition of XOD | B | 4.94 | pIC50 | 11540 | nM | IC50 | J Nat Prod (2009) 72: 1198-1201 [PMID:19476336] |
ChEMBL | Inhibition of xanthine oxidase (unknown origin) using xanthine as substrate after 10 mins by HPLC method | B | 5.11 | pIC50 | 7800 | nM | IC50 | Bioorg Med Chem Lett (2015) 25: 3117-3119 [PMID:26096677] |
ChEMBL | Inhibition of xanthine oxidase assessed as decrease in uric acid production by spectrophotometry | B | 6.26 | pIC50 | 550 | nM | IC50 | J Nat Prod (1998) 61: 71-76 [PMID:9461655] |
Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457] | ||||||||
ChEMBL | Inhibition of bovine xanthine oxidase | B | 5.72 | pKi | 1900 | nM | Ki | J Nat Prod (2009) 72: 725-731 [PMID:19388706] |
ChEMBL | Inhibition of bovine milk xanthine oxidase assessed using xanthine as substrate after 10 mins by fluorometric assay | B | 4.99 | pIC50 | 10200 | nM | IC50 | Eur J Med Chem (2017) 135: 491-516 [PMID:28478180] |
TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8] | ||||||||
GtoPdb | - | - | 5.22 | pEC50 | 6000 | nM | EC50 | J Agric Food Chem (2013) 61: 10454-66 [PMID:24117141] |
TAS2R39 in Human [GtoPdb: 675] [UniProtKB: P59534] | ||||||||
GtoPdb | - | - | 5.14 | pEC50 | 7300 | nM | EC50 | J Agric Food Chem (2013) 61: 10454-66 [PMID:24117141] |
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]