luteolin [Ligand Id: 5215] activity data from GtoPdb and ChEMBL
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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 |
|---|---|---|---|---|---|---|---|---|
| 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] |
| MMP2/72 kDa type IV collagenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL333] [GtoPdb: 1629] [UniProtKB: P08253] | ||||||||
| ChEMBL | Inhibition of recombinant human MMP2 | B | 4.39 | pIC50 | 40900 | nM | IC50 | J Med Chem (2022) 65: 13505-13532 [PMID:36250680] |
| 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] |
| 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 receptor A1 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] |
| ADAMTS4/A disintegrin and metalloproteinase with thrombospondin motifs 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2318] [GtoPdb: 1677] [UniProtKB: O75173] | ||||||||
| ChEMBL | Inhibition of recombinant human ADAMTS-4 | B | 5.01 | pIC50 | 9800 | nM | IC50 | J Med Chem (2022) 65: 13505-13532 [PMID:36250680] |
| ADAMTS5/A disintegrin and metalloproteinase with thrombospondin motifs 5 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2285] [GtoPdb: 1678] [UniProtKB: Q9UNA0] | ||||||||
| ChEMBL | Inhibition of recombinant human ADAMTS-5 | B | 4.91 | pIC50 | 12200 | nM | IC50 | J Med Chem (2022) 65: 13505-13532 [PMID:36250680] |
| CD38/ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase 1 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] |
| aldo-keto reductase family 1 member B/Aldo-keto reductase family 1 member B1 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] |
| Aldo-keto reductase family 1 member B1 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/Aldo-keto reductase family 1 member B1 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] |
| 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] |
| Alpha-amylase 1A 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] |
| 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 |
| synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [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] |
| Monoamine oxidase A/Amine oxidase [flavin-containing] A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397] | ||||||||
| ChEMBL | Inhibition of MAO-A (unknown origin) measured by MAO-GloTM method | B | 5.07 | pIC50 | 8570 | nM | IC50 | J Med Chem (2024) 67: 12463-12484 [PMID:39038276] |
| ChEMBL | Inhibition of human MAOA | B | 5.31 | pIC50 | 4900 | nM | IC50 | Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650] |
| ChEMBL | Inhibition of MAO-A (unknown origin) | B | 5.31 | pIC50 | 4900 | nM | IC50 | Eur J Med Chem (2018) 152: 570-589 [PMID:29763806] |
| Monoamine oxidase B/Amine oxidase [flavin-containing] B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338] | ||||||||
| ChEMBL | Inhibition of MAO-B (unknown origin) measured by MAO-GloTM method | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2024) 67: 12463-12484 [PMID:39038276] |
| ChEMBL | Inhibition of human MAOB | B | 4.22 | pIC50 | 59700 | nM | IC50 | Bioorg Med Chem (2010) 18: 1273-1279 [PMID:20045650] |
| ChEMBL | Inhibition of MAO-B (unknown origin) | B | 4.22 | pIC50 | 59700 | nM | IC50 | Eur J Med Chem (2018) 152: 570-589 [PMID:29763806] |
| Amyloid-beta precursor 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] |
| Arginase in Leishmania amazonensis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3108635] [UniProtKB: O96394] | ||||||||
| ChEMBL | Inhibition of Leishmania amazonensis Arginase | B | 5.05 | pIC50 | 9000 | nM | IC50 | Eur J Med Chem (2023) 257: 115471-115471 [PMID:37257213] |
| 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 |
| CYP19A1/Aromatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
| ChEMBL | Inhibition of human aromatase using ASD as substrate pre-incubated for 5 mins followed by substrate addition and measured after 16 hrs by UV/vis-spectrophotometry | B | 5.92 | pIC50 | 1199.5 | nM | IC50 | Eur J Med Chem (2017) 137: 365-438 [PMID:28622580] |
| ABCB1/ATP-dependent translocase ABCB1 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] |
| beta-secretase 1/Beta-secretase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4822] [GtoPdb: 2330] [UniProtKB: P56817] | ||||||||
| ChEMBL | Inhibition of BACE1 (unknown origin) | B | 6.28 | pIC50 | 520 | nM | IC50 | Eur J Med Chem (2021) 221: 113492-113492 [PMID:33984802] |
| ABCG2/Broad substrate specificity ATP-binding cassette transporter ABCG2 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] |
| carbonic anhydrase 1/Carbonic anhydrase 1 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 12/Carbonic anhydrase 12 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] |
| carbonic anhydrase 2/Carbonic anhydrase 2 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 4 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 7 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] |
| casein kinase 2, alpha 1 polypeptide subunit/casein kinase 2, beta polypeptide subunit/Casein kinase 2 in Rat (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3988629] [GtoPdb: 1549, 1551] [UniProtKB: P19139, P67874] | ||||||||
| ChEMBL | Inhibition of rat liver CK2 phosphorylation using RRRADDSDDDDD as substrate in presence of [32p]-ATP | B | 6.3 | pIC50 | 500 | nM | IC50 | J Med Chem (2023) 66: 2257-2281 [PMID:36745746] |
| 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) |
| MMP13/Collagenase 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL280] [GtoPdb: 1637] [UniProtKB: P45452] | ||||||||
| ChEMBL | Inhibition of recombinant human MMP13 | B | 4.74 | pIC50 | 18300 | nM | IC50 | J Med Chem (2022) 65: 13505-13532 [PMID:36250680] |
| 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] |
| 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] |
| D4 receptor/D(4) dopamine receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL219] [GtoPdb: 217] [UniProtKB: P21917] | ||||||||
| ChEMBL | Inhibition of D4 receptor (unknown origin) | B | 4.4 | pIC50 | 39600 | nM | IC50 | J Med Chem (2024) 67: 12463-12484 [PMID:39038276] |
| 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 4 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 polymerase eta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5542] [UniProtKB: Q9Y253] | ||||||||
| ChEMBL | Inhibition of C-terminal 6xHis-tagged human DNA polymerase eta (1 to 511 residues) expressed in Escherichia coli BL21 DE3 using 5'-IRD700-GCAGGTCGACTCCAAAG-3' primer/ 5'-TCGGTACCGGGTTAGCCTTTGGAGTCGACCTGC-3' template as DNA substrate incubated for 60 mins in presence of Mg2+ by bromophenol blue staining based assay | B | 4.9 | pIC50 | 12700 | nM | IC50 | Eur J Med Chem (2023) 248: 115044-115044 [PMID:36621139] |
| 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] |
| 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] |
| Enoyl-[acyl-carrier-protein] reductase [NADH] FabI 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] |
| 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] |
| 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 |
| 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] |
| 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 | 5.84 | pIC50 | 1438 | nM | IC50 | HDAC6 screening dataset using tau-based substrate in an enzymatic assay yields selective inhibitors and activators |
| 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] |
| Lactoylglutathione lyase 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] |
| MMP12/Macrophage metalloelastase 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] |
| MAPK interacting serine/threonine kinase 1/MAP kinase-interacting serine/threonine-protein kinase 1 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-interacting serine/threonine-protein 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] |
| MMP7/Matrilysin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4073] [GtoPdb: 1631] [UniProtKB: P09237] | ||||||||
| ChEMBL | Inhibition of recombinant human MMP7 | B | 4.17 | pIC50 | 68200 | nM | IC50 | J Med Chem (2022) 65: 13505-13532 [PMID:36250680] |
| 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] |
| methyltransferase 3, N6-adenosine-methyltransferase complex catalytic subunit/METTL3/METTL14 in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL4106140] [GtoPdb: 3181] [UniProtKB: Q86U44, Q9HCE5] | ||||||||
| ChEMBL | Inhibition of METTL3/METTL14 (unknown origin) using RNA 5'-GGACUGGACUGGACU-3' as substrate incubated for 2 hrs by LC-MS/MS analysis | B | 5.21 | pIC50 | 6230 | nM | IC50 | J Med Chem (2023) 66: 1654-1677 [PMID:36692498] |
| ChEMBL | Inhibition of METTL3/METTL14 (unknown origin) using SAM and 5'-GGACUGGACUGGACUGGACU-3' as substrates incubated for 2 hrs by LC-MS/MS analysis | B | 5.21 | pIC50 | 6230 | nM | IC50 | ACS Med Chem Lett (2024) 15: 1491-1499 [PMID:39291017] |
| ChEMBL | Inhibition of full length His-tagged METTL3 co-expressed with full length FLAG-tagged METTL14 (unknown origin) expressed in baculovirus expression system using (5'P-UACACUCGAUCUGGACUAAAGCUGCUC-3') as substrate pre-treated for 60 mins followed by substrate addition and measured for 1 hr by RapidFire mass spectrometry analysis | B | 5.21 | pIC50 | 6200 | nM | IC50 | Eur J Med Chem (2024) 274: 116526-116526 [PMID:38805939] |
| Monocarboxylate transporter 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4360] [GtoPdb: 988] [UniProtKB: P53985] | ||||||||
| ChEMBL | Inhibition of MCT1 (unknown origin) | B | 6.39 | pIC50 | 410 | nM | IC50 | Eur J Med Chem (2024) 267: 116170-116170 [PMID:38308950] |
| sirtuin 6/NAD-dependent protein deacylase sirtuin-6 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2163182] [GtoPdb: 2712] [UniProtKB: Q8N6T7] | ||||||||
| ChEMBL | Inhibition of human SIRT6 using H3K9 myristoyl-peptide substrate | B | 5.72 | pIC50 | 1900 | nM | IC50 | J Med Chem (2021) 64: 9732-9758 [PMID:34213345] |
| 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] |
| elastase, neutrophil expressed/Neutrophil 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] |
| Nonstructural protein 3 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] |
| 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] |
| 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] |
| tankyrase/Poly [ADP-ribose] polymerase 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/Poly [ADP-ribose] polymerase 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] |
| 5-LOX/Polyunsaturated fatty acid 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] |
| 15-LOX-1/Polyunsaturated fatty acid lipoxygenase ALOX15 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] |
| 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] |
| fms related receptor tyrosine kinase 3/Receptor-type tyrosine-protein kinase 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] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/Replicase polyprotein 1ab in Severe acute respiratory syndrome-related 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] |
| CoV Replicase polyprotein 1ab/CoV RNA-dependent RNA polymerase/CoV Non-structural protein 15/CoV Non-structural protein 13/Replicase polyprotein 1ab in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4523582] [GtoPdb: 3125, 3139, 3206, 3261] [UniProtKB: P0DTD1] | ||||||||
| ChEMBL | Inhibition of SARS-CoV-2 RdRp using ATP substrate preincubated with compound for 30 mins followed by substrate addition and measured after 30 mins by Alphascreen microplate reader analysis | B | 5.34 | pIC50 | 4600 | nM | IC50 | Bioorg Med Chem (2023) 80: 117179-117179 [PMID:36716583] |
| ChEMBL | Inhibition of SARS-CoV-2 3CL protease | B | 4.97 | pEC50 | 10600 | nM | EC50 | J Med Chem (2016) 59: 6595-6628 [PMID:26878082] |
| ribosomal protein S6 kinase A3/Ribosomal protein S6 kinase alpha-3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2345] [GtoPdb: 1528] [UniProtKB: P51812] | ||||||||
| ChEMBL | Inhibition of RSK2 expressed in human MCF7 cells incubated for 1 hrs by | B | 5.35 | pIC50 | 4420 | nM | IC50 | Eur J Med Chem (2023) 251: 115229-115229 [PMID:36898330] |
| Seed linoleate 13S-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] |
| Serine protease 1 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] |
| Pim-1 proto-oncogene, serine/threonine kinase/Serine/threonine-protein kinase pim-1 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] |
| DAT/Sodium-dependent 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] |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | Inhibition of OCT1(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT1 using ASP+ as substrate incubated for 5 mins | B | 4.34 | pIC50 | 46080 | nM | IC50 | J Nat Prod (2023) 86: 191-198 [PMID:36563333] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
| ChEMBL | Inhibition of OCT2(unknown origin)-mediated ASP+ uptake in HEK293 cells expressing OCT2 using ASP+ as substrate incubated for 5 mins | B | 4.39 | pIC50 | 41030 | nM | IC50 | J Nat Prod (2023) 86: 191-198 [PMID:36563333] |
| 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 | 5.41 | pIC50 | 3900 | 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 | 5.41 | pIC50 | 3890.45 | nM | IC50 | RSC Med Chem (2023) 14: 890-898 [PMID:37252098] |
| CoV Spike glycoprotein/Spike glycoprotein in Severe acute respiratory syndrome coronavirus 2 (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662936] [GtoPdb: 3114] [UniProtKB: P0DTC2] | ||||||||
| ChEMBL | Inhibition of SARS-COV2 spike protein mediated infection of human ACE2 expressing cells at 50 uM by SPR analysis | B | 4.97 | pIC50 | 10600 | nM | IC50 | J Med Chem (2020) 63: 12256-12274 [PMID:32539378] |
| MMP3/Stromelysin-1 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] |
| 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] |
| 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] |
| 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] |
| V1A receptor/Vasopressin V1a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1889] [GtoPdb: 366] [UniProtKB: P37288] | ||||||||
| ChEMBL | Inhibition of Vasopressin V1A receptor (unknown origin) | B | 4.71 | pIC50 | 19500 | nM | IC50 | J Med Chem (2024) 67: 12463-12484 [PMID:39038276] |
| xanthine dehydrogenase/Xanthine dehydrogenase/oxidase 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/oxidase 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 36:
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]
