genistein [Ligand Id: 2826] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL44 (11-isosparteine, 4',5,7-trihydroxyisoflavone, .alpha.-isospartein, (-)-.alpha.-isosparteine, .alpha.-isosparteine, .alpha.-isosparteine, (-)-, .alpha.-sparteine, BIO 300, BIO-300, Bonistein, FW-635I-2, Genistein, Genisteina, Genisteine, Genisteine-alkaloid, Isosparteine, alpha-, NPI-031L, NSC-36586, NSC-366737, SIPI-807-1, Sophoricol, Sparteine l-.alpha.-isosparteine)
  • acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Rat [ChEMBL: CHEMBL3199] [GtoPdb: 2465] [UniProtKB: P37136]
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  • A1 receptor/Adenosine A1 receptor in Human [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
  • A1 receptor/Adenosine A1 receptor in Rat [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
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  • A2A receptor/Adenosine A2a receptor in Human [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
  • A2A receptor/Adenosine A2a receptor in Rat [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
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  • aldehyde oxidase 1/Aldehyde oxidase in Human [ChEMBL: CHEMBL3257] [GtoPdb: 3186] [UniProtKB: Q06278]
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  • aldo-keto reductase family 1 member B/Aldose reductase in Human [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
  • aldo-keto reductase family 1 member B/Aldose reductase in Rat [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
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  • Alpha-glucosidase MAL62 in Saccharomyces cerevisiae [ChEMBL: CHEMBL4357] [UniProtKB: P07265]
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  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
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  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
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  • ABCG2/ATP-binding cassette sub-family G member 2 in Human [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
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  • casein kinase 2, alpha 1 polypeptide subunit/casein kinase 2, beta polypeptide subunit/Casein kinase 2 in Rat [ChEMBL: CHEMBL3988629] [GtoPdb: 1549, 1551] [UniProtKB: P19139, P67874]
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  • CFTR/Cystic fibrosis transmembrane conductance regulator in Human [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
  • CFTR/Cystic fibrosis transmembrane conductance regulator in Rat [ChEMBL: CHEMBL3992] [GtoPdb: 707] [UniProtKB: P34158]
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  • death associated protein kinase 1/Death-associated protein kinase 1 in Human [ChEMBL: CHEMBL2558] [GtoPdb: 2002] [UniProtKB: P53355]
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  • dipeptidyl peptidase 4/Dipeptidyl peptidase IV in Human [ChEMBL: CHEMBL284] [GtoPdb: 1612] [UniProtKB: P27487]
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  • DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
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  • mitogen-activated protein kinase kinase 4/Dual specificity mitogen-activated protein kinase kinase 4 in Human [ChEMBL: CHEMBL2897] [GtoPdb: 2065] [UniProtKB: P45985]
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  • epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
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  • Estradiol 17-beta-dehydrogenase 1 in Human [ChEMBL: CHEMBL3181] [UniProtKB: P14061]
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  • hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
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  • Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
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  • Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
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  • Estrogen-related receptor-α/Estrogen-related receptor alpha in Human [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474]
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  • Estrogen-related receptor-β/Estrogen-related receptor beta in Human [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718]
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  • Fatty acid synthase in Plasmodium falciparum [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
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  • Glucose transporter 1/Glucose transporter in Human [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
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  • histone deacetylase 6/Histone deacetylase 6 in Human [ChEMBL: CHEMBL1865] [GtoPdb: 2618] [UniProtKB: Q9UBN7]
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  • Human immunodeficiency virus type 1 integrase in Human immunodeficiency virus 1 [ChEMBL: CHEMBL3471] [UniProtKB: Q7ZJM1]
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  • Liver X receptor-α/LXR-alpha in Human [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133]
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  • maltase-glucoamylase/Maltase-glucoamylase in Human [ChEMBL: CHEMBL2074] [GtoPdb: 2627] [UniProtKB: O43451]
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  • Neuraminidase in Influenza A virus (A/Puerto Rico/8/1934(H1N1)) [ChEMBL: CHEMBL2051] [UniProtKB: P03468]
  • Neuraminidase in Influenza A virus [ChEMBL: CHEMBL6135] [UniProtKB: B4URF0]
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  • proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
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  • protein kinase C alpha/Protein kinase C alpha in Human [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
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  • Protein kinase Pfmrk in Plasmodium falciparum [ChEMBL: CHEMBL4090] [UniProtKB: P90584]
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  • AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
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  • 5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
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  • 5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335]
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  • signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
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  • Glucose transporter 4/Solute carrier family 2, facilitated glucose transporter member 4 in Mouse [ChEMBL: CHEMBL1250410] [GtoPdb: 878] [UniProtKB: P14142]
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  • OATP2B1/Solute carrier organic anion transporter family member 2B1 in Human [ChEMBL: CHEMBL1743124] [GtoPdb: 1224] [UniProtKB: O94956]
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  • Testis-specific androgen-binding protein in Human [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
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  • ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519]
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  • BMX non-receptor tyrosine kinase/Tyrosine-protein kinase BMX in Human [ChEMBL: CHEMBL3834] [GtoPdb: 1942] [UniProtKB: P51813]
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  • FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
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  • SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
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  • spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Human [ChEMBL: CHEMBL2599] [GtoPdb: 2230] [UniProtKB: P43405]
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  • Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
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  • Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002]
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  • xanthine dehydrogenase/Xanthine dehydrogenase in Human [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
  • Xanthine dehydrogenase in Bovine [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
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  • TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8]
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  • TAS2R39 in Human [GtoPdb: 675] [UniProtKB: P59534]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
acetylcholinesterase (Yt blood group)/Acetylcholinesterase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3199] [GtoPdb: 2465] [UniProtKB: P37136]
ChEMBL Inhibition of rat cortex AChE using acetylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2022) 60: 128574-128574 [PMID:35065231]
A1 receptor/Adenosine A1 receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL226] [GtoPdb: 18] [UniProtKB: P30542]
ChEMBL DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) B 4.94 pKi 11611 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Adenosine A1 radioligand binding (ligand: DPCPX) B 4.7 pIC50 19904 nM IC50 DrugMatrix in vitro pharmacology data
A1 receptor/Adenosine A1 receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL318] [GtoPdb: 18] [UniProtKB: P25099]
ChEMBL Tested for the displacement [3H]PIA from Adenosine A1 receptor in rat brain membrane B 5.3 pKi 5000 nM Ki J Med Chem (1996) 39: 398-406 [PMID:8558508]
ChEMBL Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes. B 5.3 pKi 5000 nM Ki J Med Chem (1996) 39: 781-788 [PMID:8576921]
A2A receptor/Adenosine A2a receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL251] [GtoPdb: 19] [UniProtKB: P29274]
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 5.01 pKi 9792 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Adenosine A2A radioligand binding (ligand: AB-MECA) B 4.76 pIC50 17442 nM IC50 DrugMatrix in vitro pharmacology data
A2A receptor/Adenosine A2a receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL302] [GtoPdb: 19] [UniProtKB: P30543]
ChEMBL Displacement [3H]-CGS-21,680 from Adenosine A2A receptor in rat striatal membrane. B 4.44 pKi 36000 nM Ki J Med Chem (1996) 39: 398-406 [PMID:8558508]
ChEMBL Affinity at Adenosine A2A receptor in rat striatal membranes by [3H]- CGS 21680 displacement. B 4.44 pKi 36000 nM Ki J Med Chem (1996) 39: 781-788 [PMID:8576921]
Alcohol sulfotransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3007] [UniProtKB: P15709]
ChEMBL Inhibition of rat SULT2A1-mediated dehydroepiandrosterone sulfonation incubated for 20 mins B 4.47 pIC50 34000 nM IC50 Eur J Med Chem (2021) 213: 113037-113037 [PMID:33257172]
aldehyde oxidase 1/Aldehyde oxidase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3257] [GtoPdb: 3186] [UniProtKB: Q06278]
ChEMBL Inhibition of human liver AOX using phthalazine as substrate incubated for 2.5 mins by HPLC-MS analysis B 8.3 pIC50 5 nM IC50 Eur J Med Chem (2020) 187: 111948-111948 [PMID:31877540]
aldo-keto reductase family 1 member B/Aldose reductase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1900] [GtoPdb: 2768] [UniProtKB: P15121]
ChEMBL Inhibition of human recombinant aldose reductase using D-glyceraldehyde as substrate preincubated for 10 mins before substrate addition measured for every 10 secs for 50 mins by spectrophotometry B 4.7 pIC50 20000 nM IC50 Bioorg Med Chem (2012) 20: 1251-1258 [PMID:22261024]
aldo-keto reductase family 1 member B/Aldose reductase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2622] [GtoPdb: 2768] [UniProtKB: P07943]
ChEMBL DRUGMATRIX: Aldose Reductase enzyme inhibition (substrate: DL-Glyceraldehyde) B 4.35 pIC50 44979 nM IC50 DrugMatrix in vitro pharmacology data
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 0.84 pIC50 0.84 - logIC50 Med Chem Res (2012) 21: 3984-3993
Alpha-L-fucosidase 1 in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3545] [UniProtKB: Q2KIM0]
ChEMBL Inhibition of bovine kidney alpha-fucosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method B 4.27 pIC50 54000 nM IC50 Eur J Med Chem (2020) 188: 112034-112034 [PMID:31927314]
Alpha-mannosidase in Canavalia ensiformis (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3392945] [UniProtKB: C0HJB3]
ChEMBL Inhibition of jack bean alpha-mannosidase using PNPG as substrate incubated for 10 mins by spectrophotometric method B 4.31 pIC50 49000 nM IC50 Eur J Med Chem (2020) 188: 112034-112034 [PMID:31927314]
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 4.07 pIC50 85113.8 nM IC50 J Med Chem (2005) 48: 5666-5674 [PMID:16134935]
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) B 5.04 pIC50 9033 nM IC50 DrugMatrix in vitro pharmacology data
Aryl sulfotransferase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4886] [UniProtKB: P17988]
ChEMBL Inhibition of rat liver SULT1A1-mediated oestradiol sulfonation incubated for 20 mins B 6.54 pIC50 290 nM IC50 Eur J Med Chem (2021) 213: 113037-113037 [PMID:33257172]
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0]
ChEMBL Inhibition of BCRP expressed in MCF-7 MX cells using Hoechst 33342 staining B 5.06 pIC50 8800 nM IC50 Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800]
ChEMBL Inhibition of BCRP expressed in MDCK cells using Hoechst 33342 staining B 5.16 pIC50 6900 nM IC50 Bioorg Med Chem (2011) 19: 2090-2102 [PMID:21354800]
Butyrylcholinesterase in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3403] [UniProtKB: Q9JKC1]
ChEMBL Inhibition of rat serum Butyrylcholine esterase using butyrylthiocholine as substrate incubated for 15 mins by DTNB reagent based Ellman's method B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2022) 60: 128574-128574 [PMID:35065231]
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 4.49 pIC50 32000 nM IC50 J Med Chem (2023) 66: 2257-2281 [PMID:36745746]
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 4.08 pIC50 82700 nM IC50 J Med Chem (2013) 56: 2406-2414 [PMID:23437772]
COX-1 /Cyclooxygenase-1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL221] [GtoPdb: 1375] [UniProtKB: P23219]
ChEMBL Inhibition of COX1 B 4.1 pIC50 80000 nM IC50 J Nat Prod (2005) 68: 985-991 [PMID:16038536]
CFTR/Cystic fibrosis transmembrane conductance regulator in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4051] [GtoPdb: 707] [UniProtKB: P13569]
ChEMBL Potentiation of wild-type CFTR (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin B 4.85 pEC50 14200 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential incubated for 5 to 30 mins in presence of forskolin by Quattro assay B 5.07 pEC50 8480 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of CFTR F508del mutant (unknown origin) expressed in CHO cells assessed as chloride transport by measuring membrane potential preincubated for 5 mins followed by forskolin addition by FLIPR assay B 5.09 pEC50 8200 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Potentiation of CFTR F508del mutant activity (unknown origin) B 5.15 pEC50 7000 nM EC50 Eur J Med Chem (2020) 204: 112631-112631 [PMID:32898816]
ChEMBL Potentiation of CFTR F508del mutant (unknown origin) expressed in FRT cells assessed as chloride transport by measuring membrane potential in presence of forskolin B 5.21 pEC50 6170 nM EC50 J Med Chem (2021) 64: 7241-7260 [PMID:34028270]
ChEMBL Agonist activity at CFTR-deltaF508 mutant expressed in NIH3T3 cells assessed as increase in forskolin-stimulated current F 5.36 pEC50 4400 nM EC50 Bioorg Med Chem Lett (2008) 18: 3874-3877 [PMID:18595696]
CFTR/Cystic fibrosis transmembrane conductance regulator in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3992] [GtoPdb: 707] [UniProtKB: P34158]
ChEMBL Kd (half effective concentration) of compound against CFTR (cystic fibrosis transmembrane conductance regulator) in rat was determined B 4.4 pKd 40000 nM Kd Bioorg Med Chem Lett (2003) 13: 2509-2512 [PMID:12852954]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Inhibition of human aromatase expressed in CHO cells B 4 pKi 100000 nM Ki Bioorg Med Chem (2008) 16: 8466-8470 [PMID:18778944]
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 4.01 pIC50 98000 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 6.32 pIC50 480 nM IC50 Eur J Med Chem (2018) 151: 145-157 [PMID:29609120]
DNA methyltransferase 1/DNA (cytosine-5)-methyltransferase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1993] [GtoPdb: 2605] [UniProtKB: P26358]
ChEMBL Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method B 4.52 pIC50 30000 nM IC50 J Med Chem (2015) 58: 2569-2583 [PMID:25406944]
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 4.03 pIC50 92400 nM IC50 Eur J Med Chem (2023) 248: 115044-115044 [PMID:36621139]
DNA (cytosine-5-)-methyltransferase 3α/DNMT3A2/3L complex in Human (target type: PROTEIN COMPLEX) [ChEMBL: CHEMBL3137291] [GtoPdb: 2750] [UniProtKB: Q9UJW3, Q9Y6K1]
ChEMBL Inhibition of His6-tagged human recombinant DNMT3A/DNMT3L expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-biotinylated 45-bp unmethylated or hemimethylated oligonucleotide substrates and [3H]-AdoMet by liquid scintillation counting method B 4 pIC50 >100000 nM IC50 J Med Chem (2015) 58: 2569-2583 [PMID:25406944]
DAT/Dopamine transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.87 pKi 13442 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.77 pIC50 16918 nM IC50 DrugMatrix in vitro pharmacology data
mitogen-activated protein kinase kinase 4/Dual specificity mitogen-activated protein kinase kinase 4 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2897] [GtoPdb: 2065] [UniProtKB: P45985]
ChEMBL Inhibition of recombinant human MEK4 (14 to 377 residues) after 5 mins by Western blot analysis B 6.4 pIC50 400 nM IC50 Bioorg Med Chem Lett (2020) 30: 127203-127203 [PMID:32389527]
epidermal growth factor receptor/Epidermal growth factor receptor erbB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL203] [GtoPdb: 1797] [UniProtKB: P00533]
ChEMBL Inhibition of EGFR (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay B 4.6 pIC50 25120 nM IC50 Bioorg Med Chem Lett (2014) 24: 4659-4663 [PMID:25205190]
ChEMBL Inhibition of wild type EGFR B 5.59 pIC50 2600 nM IC50 Proc Natl Acad Sci U S A (2007) 104: 20523-20528 [PMID:18077363]
ChEMBL Inhibitory activity against recombinant tyrosine kinase EGF-R (EGF-R ICD) B 6 pIC50 1000 nM IC50 J Med Chem (1994) 37: 1015-1027 [PMID:8151612]
ChEMBL Inhibition of Epidermal growth factor receptor B 6 pIC50 1000 nM IC50 J Med Chem (1999) 42: 1018-1026 [PMID:10090785]
ChEMBL In vitro inhibition of the Epidermal growth factor receptor activity in A431 membranes B 6 pIC50 1000 nM IC50 J Med Chem (1995) 38: 2441-2448 [PMID:7608909]
ChEMBL Inhibition of EGFR (unknown origin) B 6.22 pIC50 600 nM IC50 J Med Chem (2022) 65: 935-954 [PMID:33970631]
Estradiol 17-beta-dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3181] [UniProtKB: P14061]
ChEMBL Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol B 5.66 pIC50 2210 nM IC50 J Med Chem (2008) 51: 4188-4199 [PMID:18533708]
hydroxysteroid 17-beta dehydrogenase 2/Estradiol 17-beta-dehydrogenase 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2789] [GtoPdb: 3094] [UniProtKB: P37059]
ChEMBL Inhibition of human recombinant 17beta-HSD2 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol B 4.78 pIC50 16500 nM IC50 J Med Chem (2008) 51: 4188-4199 [PMID:18533708]
ChEMBL Inhibition of human 17beta-HSD2 expressed in HEK293 cell lysates incubated for 10 mins using [2,4,6,7-3H]-estradiol and NAD+ by scintillation counting method B 4.78 pIC50 16500 nM IC50 J Nat Prod (2017) 80: 965-974 [PMID:28319389]
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha B 6.43 pKi 370 nM Ki Bioorg Med Chem Lett (2001) 11: 1839-1842 [PMID:11459643]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 7.41 pKi 39 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement. B 5.21 pIC50 6100 nM IC50 Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Displacement of EL red from human full-length ER-alpha expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization assay B 5.32 pIC50 4735 nM IC50 Eur J Med Chem (2022) 241: 114658-114658 [PMID:35964426]
ChEMBL Binding Assay: The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competitive binding assay using purified baculovirus-expressed human ER beta or ER alpha and a fluorescent estrogen ligand EL Red (PanVera Corp.). B 5.33 pIC50 4680 nM IC50 US-8552057-B2. Phytoestrogenic formulations for alleviation or prevention of neurodegenerative diseases (2013)
ChEMBL Binding affinity for human Estrogen receptor Alpha B 5.33 pIC50 4660 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding affinity for human Estrogen receptor Alpha B 5.33 pIC50 4660 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding affinity to human ERalpha B 5.67 pIC50 2150 nM IC50 J Med Chem (2007) 50: 4471-4481 [PMID:17696335]
ChEMBL Displacement of [3H]estrone from ER alpha B 5.7 pIC50 1973 nM IC50 J Med Chem (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Inhibition of binding of 17 beta-estradiol to human Estrogen receptor alpha B 5.89 pIC50 1300 nM IC50 Bioorg Med Chem Lett (2001) 11: 1839-1842 [PMID:11459643]
ChEMBL Displacement of [3H]E2 from human recombinant ERalpha LBD by SPA B 5.94 pIC50 1145 nM IC50 J Med Chem (2006) 49: 7357-7365 [PMID:17149865]
ChEMBL Displacement of [3H]17beta-estradiol from recombinant human ERalpha B 6.24 pIC50 580 nM IC50 Bioorg Med Chem (2007) 15: 5828-5836 [PMID:17574424]
ChEMBL Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand B 6.4 pIC50 395 nM IC50 J Med Chem (2004) 47: 5021-5040 [PMID:15456246]
ChEMBL Binding affinity for human Estrogen receptor alpha B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2004) 14: 4925-4929 [PMID:15341953]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli B 6.4 pIC50 395 nM IC50 J Med Chem (2005) 48: 3953-3979 [PMID:15943471]
ChEMBL Binding affinity for human Estrogen receptor alpha B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2005) 15: 4520-4525 [PMID:16098741]
ChEMBL Inhibition of human ERalpha by radioligand binding assay B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2007) 17: 902-906 [PMID:17188490]
ChEMBL Binding affinity towards human estrogen receptor alpha(ERalpha) B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2003) 13: 2399-2403 [PMID:12824043]
ChEMBL Displacement of [3H]estradiol from human recombinant ERalpha B 6.52 pIC50 300 nM IC50 J Nat Prod (2002) 65: 1749-1753 [PMID:12502307]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 6.87 pIC50 135 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity against human estrogen receptor alpha in competitive binding assay B 7.04 pIC50 92 nM IC50 Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374]
ChEMBL Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells B 7.53 pIC50 29.4 nM IC50 Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463]
ChEMBL Inhibition of human LBD of of ERalpha B 8.01 pIC50 9.7 nM IC50 Bioorg Med Chem Lett (2007) 17: 118-122 [PMID:17049855]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor alpha. B 5.41 pEC50 3920 nM EC50 J Med Chem (2002) 45: 1399-1401 [PMID:11906280]
ChEMBL Ability to activate estrogen receptor 1-mediated transcription. F 6.02 pEC50 950 nM EC50 Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Agonist activity at human ERalpha expressed in yeast AH109 by yeast two hybrid assay F 6.09 pEC50 810 nM EC50 Bioorg Med Chem (2007) 15: 5828-5836 [PMID:17574424]
ChEMBL Agonist activity at human ER-alpha transfected in HEK293 cells after 48 hrs by luciferase reporter gene assay B 6.3 pEC50 501.19 nM EC50 Medchemcomm (2013) 4: 1439-1442
ChEMBL Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha. B 7.32 pEC50 48 nM EC50 J Med Chem (2002) 45: 1399-1401 [PMID:11906280]
ChEMBL Transcriptional potency (EC50) at Human estrogen receptor alpha B 7.7 pEC50 20 nM EC50 J Med Chem (2001) 44: 4230-4251 [PMID:11708925]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
ChEMBL Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta B 7.62 pKi 24 nM Ki Bioorg Med Chem Lett (2001) 11: 1839-1842 [PMID:11459643]
GtoPdb - - 8.2 pKi - - - Endocrinology (1997) 138: 863-70 [PMID:9048584]
ChEMBL DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) B 9.23 pKi 0.59 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity to human ERbeta B 4.34 pIC50 45900 nM IC50 J Med Chem (2007) 50: 4471-4481 [PMID:17696335]
ChEMBL Inhibition of human LBD of ERbeta B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2007) 17: 118-122 [PMID:17049855]
ChEMBL Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. B 6.41 pIC50 390 nM IC50 Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Binding Assay: The binding affinity and selectivity of candidate molecules yielded from database screening were determined by a fluorescent polarization competitive binding assay using purified baculovirus-expressed human ER beta or ER alpha and a fluorescent estrogen ligand EL Red (PanVera Corp.). B 7.01 pIC50 98.7 nM IC50 US-8552057-B2. Phytoestrogenic formulations for alleviation or prevention of neurodegenerative diseases (2013)
ChEMBL Binding affinity for human Estrogen receptor beta B 7.01 pIC50 98.7 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Binding affinity for human Estrogen receptor beta B 7.01 pIC50 98.7 nM IC50 J Med Chem (2005) 48: 3463-3466 [PMID:15887952]
ChEMBL Inhibition of binding of 17 beta-estradiol to human Estrogen receptor beta B 7.08 pIC50 83 nM IC50 Bioorg Med Chem Lett (2001) 11: 1839-1842 [PMID:11459643]
ChEMBL Displacement of EL red from human full-length ER-beta expressed in baculovirus expression system incubated for 2 hrs by fluorescence polarization assay B 7.11 pIC50 78 nM IC50 Eur J Med Chem (2022) 241: 114658-114658 [PMID:35964426]
ChEMBL Displacement of [3H]estrone from ER beta B 7.21 pIC50 61 nM IC50 J Med Chem (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Displacement of [3H]E2 from human recombinant ERbeta LBD by SPA B 7.6 pIC50 25 nM IC50 J Med Chem (2006) 49: 7357-7365 [PMID:17149865]
ChEMBL Displacement of [3H]estradiol from human recombinant ERbeta B 7.74 pIC50 18 nM IC50 J Nat Prod (2002) 65: 1749-1753 [PMID:12502307]
ChEMBL Binding affinity for human Estrogen receptor beta B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2004) 14: 4925-4929 [PMID:15341953]
ChEMBL Binding affinity towards human estrogen receptor beta (ERbeta) B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2003) 13: 2399-2403 [PMID:12824043]
ChEMBL Binding affinity for human Estrogen receptor beta B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2005) 15: 4520-4525 [PMID:16098741]
ChEMBL Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand B 8 pIC50 10 nM IC50 J Med Chem (2004) 47: 5021-5040 [PMID:15456246]
ChEMBL Inhibition of human ERbeta by radioligand binding assay B 8.01 pIC50 9.7 nM IC50 Bioorg Med Chem Lett (2007) 17: 902-906 [PMID:17188490]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli B 8.01 pIC50 9.7 nM IC50 J Med Chem (2005) 48: 3953-3979 [PMID:15943471]
ChEMBL Displacement of [3H]17beta-estradiol from recombinant human ERbeta B 8.17 pIC50 6.8 nM IC50 Bioorg Med Chem (2007) 15: 5828-5836 [PMID:17574424]
ChEMBL Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay B 8.4 pIC50 4 nM IC50 Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374]
ChEMBL DRUGMATRIX: Estrogen ERbeta radioligand binding (ligand: [3H] Estradiol) B 8.54 pIC50 2.88 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells B 8.89 pIC50 1.3 nM IC50 Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463]
ChEMBL Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay at 10 uM F 6.02 pEC50 956 nM EC50 J Med Chem (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Ability to activate estrogen receptor 2-mediated transcription. F 6.7 pEC50 200 nM EC50 Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor beta. B 6.7 pEC50 200 nM EC50 J Med Chem (2002) 45: 1399-1401 [PMID:11906280]
ChEMBL Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay F 7.14 pEC50 73 nM EC50 J Med Chem (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Agonist activity at human ERbeta expressed in yeast AH109 by yeast two hybrid assay F 7.55 pEC50 28 nM EC50 Bioorg Med Chem (2007) 15: 5828-5836 [PMID:17574424]
ChEMBL Agonist activity at human ER-beta transfected in HEK293 cells after 48 hrs by luciferase reporter gene assay B 7.7 pEC50 19.95 nM EC50 Medchemcomm (2013) 4: 1439-1442
ChEMBL Transcriptional potency (EC50) at Human estrogen receptor Beta B 8.22 pEC50 6 nM EC50 J Med Chem (2001) 44: 4230-4251 [PMID:11708925]
ChEMBL Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta. B 8.39 pEC50 4.1 nM EC50 J Med Chem (2002) 45: 1399-1401 [PMID:11906280]
ChEMBL Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay B 8.62 pEC50 2.4 nM EC50 J Nat Prod (2018) 81: 966-975 [PMID:29641206]
ChEMBL Agonist activity in transcriptional activation assay in SH-SY5Y neuroblastoma cells expressing Estrogen receptor beta F 8.77 pEC50 1.7 nM EC50 J Med Chem (2002) 45: 1399-1401 [PMID:11906280]
Estrogen-related receptor-α/Estrogen-related receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474]
ChEMBL Inhibition of human ERalpha B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2007) 17: 4053-4056 [PMID:17482813]
Estrogen-related receptor-β/Estrogen-related receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718]
ChEMBL Inhibition of human ERbeta B 6.4 pIC50 395 nM IC50 Bioorg Med Chem Lett (2007) 17: 4053-4056 [PMID:17482813]
Fatty acid synthase in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4512] [UniProtKB: Q965D7]
ChEMBL Inhibition of FabZ B 5.15 pIC50 7000 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
Glucose transporter 1/Glucose transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2535] [GtoPdb: 875] [UniProtKB: P11166]
ChEMBL Competitive inhibition of glucose displaceable binding of [4-3H]cytochalasin B to GLUT1 in human erythrocyte membranes after 10 mins by double reciprocal plot analysis B 5.15 pKi 7000 nM Ki Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
ChEMBL Competitive inhibition of GLUT1 (unknown origin) expressed in CHO cells assessed as reduction in 2-[1,2-3H]deoxy-D-glucose uptake measured for 30 secs by double reciprocal plot analysis B 5.15 pKi 7000 nM Ki Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
ChEMBL Competitive inhibition of GLUT1 in human HL60 cells assessed as reduction in 2-[1,2-3H]deoxy-D-glucose uptake measured for 30 secs by double reciprocal plot analysis B 5.15 pKi 7000 nM Ki Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
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 5.72 pIC50 1885 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 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 4.7 pIC50 >20000 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 5.96 pIC50 1100 nM IC50 Bioorg Med Chem (2014) 22: 3146-3158 [PMID:24794743]
Liver X receptor-α/LXR-alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2808] [GtoPdb: 602] [UniProtKB: Q13133]
ChEMBL Antagonist activity at human recombinant LXRalpha expressed in HEK293 cells by luciferase reporter gene assay F 4.51 pIC50 31000 nM IC50 Bioorg Med Chem (2008) 16: 4272-4285 [PMID:18343126]
Liver X receptor-β/LXR-beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4093] [GtoPdb: 601] [UniProtKB: P55055]
ChEMBL Antagonist activity at human recombinant LXRbeta expressed in HEK293 cells by luciferase reporter gene assay F 4.66 pIC50 22000 nM IC50 Bioorg Med Chem (2008) 16: 4272-4285 [PMID:18343126]
maltase-glucoamylase/Maltase-glucoamylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2074] [GtoPdb: 2627] [UniProtKB: O43451]
ChEMBL Inhibition kinetics of yeast alpha-glucosidase by genistein at a concentration of 10.2 uM B 4.98 pKi 10400 nM Ki Bioorg Med Chem Lett (2004) 14: 2947-2950 [PMID:15125965]
ChEMBL Inhibition of yeast alpha-glucosidase by genistein B 4.98 pIC50 10400 nM IC50 Bioorg Med Chem Lett (2004) 14: 2947-2950 [PMID:15125965]
ChEMBL Inhibition of yeast alpha-glucosidase after addition of D-glucose B 5.58 pIC50 2610 nM IC50 Bioorg Med Chem Lett (2004) 14: 2947-2950 [PMID:15125965]
Monoamine oxidase A in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1951] [GtoPdb: 2489] [UniProtKB: P21397]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells assessed as decrease in arbitrary light units preincubated for 40 mins followed by addition of luciferin derivative substrate measured after 2 hrs by MAO-Glow assay B 5.01 pIC50 9700 nM IC50 Bioorg Med Chem Lett (2016) 26: 4714-4719 [PMID:27575476]
ChEMBL Inhibition of human recombinant MAOA using kynuramine as substrate preincubated for 30 mins followed by substrate addition B 5.41 pIC50 3900 nM IC50 Bioorg Med Chem Lett (2018) 28: 584-588 [PMID:29395970]
ChEMBL Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of kynuramine as substrate B 5.41 pIC50 3900 nM IC50 Bioorg Med Chem Lett (2016) 26: 4714-4719 [PMID:27575476]
ChEMBL DRUGMATRIX: Monoamine Oxidase MAO-A enzyme inhibition (substrate: Kynuramine) B 5.6 pIC50 2520 nM IC50 DrugMatrix in vitro pharmacology data
Monoamine oxidase A in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3358] [UniProtKB: P21396]
ChEMBL Inhibition of rat brain mitochondrial MAO-A preincubated for 15 mins followed by addition of serotonin as substrate measured after 90 mins B 4.4 pIC50 40000 nM IC50 Bioorg Med Chem Lett (2016) 26: 4714-4719 [PMID:27575476]
Monoamine oxidase B in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2039] [GtoPdb: 2490] [UniProtKB: P27338]
ChEMBL Inhibition of human MAO-B B 5.17 pIC50 6810 nM IC50 Eur J Med Chem (2018) 152: 570-589 [PMID:29763806]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells assessed as decrease in arbitrary light units preincubated for 40 mins followed by addition of luciferin derivative substrate measured after 2 hrs by MAO-Glow assay B 5.17 pIC50 6800 nM IC50 Bioorg Med Chem Lett (2016) 26: 4714-4719 [PMID:27575476]
ChEMBL Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI insect cells preincubated for 10 mins followed by addition of benzylamine as substrate B 5.39 pIC50 4100 nM IC50 Bioorg Med Chem Lett (2016) 26: 4714-4719 [PMID:27575476]
ChEMBL Inhibition of recombinant human MAO-B using kynuramine as substrate preincubated for 10 mins followed by substrate addition and measured after 20 mins by fluorometric assay B 6.19 pIC50 650 nM IC50 Eur J Med Chem (2020) 206: 112787-112787 [PMID:32942081]
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 1.32 pIC50 1.32 - 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 Inhibition of Influenza A Jiangsu/10/2003 virus neuraminidase activity by MUN-ANA substrate based fluorimetric assay B 4.08 pIC50 83300 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 4.11 pIC50 77100 nM IC50 Bioorg Med Chem (2008) 16: 7141-7147 [PMID:18640042]
Ornithine decarboxylase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1869] [GtoPdb: 1276] [UniProtKB: P11926]
ChEMBL Inhibition of phorbol ester-induced ornithine decarboxylase in human MCF7 cells after 6 hrs B 4.59 pIC50 26000 nM IC50 J Nat Prod (1999) 62: 205-210 [PMID:10075742]
Pancreatic triacylglycerol lipase in Pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1687677] [UniProtKB: P00591]
ChEMBL Inhibition of porcine pancreatic lipase pre-incubated for 15 mins before p-nitrophenylbutyrate substrate addition by microplate reader based method B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2015) 25: 3455-3457 [PMID:26227773]
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183]
ChEMBL Binding affinity to ABCB1 nucleotide binding domain 2 B 4.58 pKd 26302.68 nM Kd Eur J Med Chem (2011) 46: 4078-4088 [PMID:21723648]
Plasmodium berghei (target type: ORGANISM) [ChEMBL: CHEMBL612653]
ChEMBL Antimalarial activity against liver stages of Plasmodium berghei F 4.7 pIC50 20000 nM IC50 J Med Chem (2012) 55: 995-1012 [PMID:22122518]
ChEMBL Antiplasmodial activity against liver sporozoite stage of Plasmodium berghei ANKA expressing GFP infected in human HuH7 cells assessed as inhibition of parasite development after 24 hrs by qRT-PCR analysis F 4.7 pIC50 20000 nM IC50 Eur J Med Chem (2013) 69: 872-880 [PMID:24125849]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 F 4.42 pIC50 38200 nM IC50 J Med Chem (2006) 49: 3345-3353 [PMID:16722653]
proteasome 20S subunit beta 5/Proteasome Macropain subunit MB1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4662] [GtoPdb: 2406] [UniProtKB: P28074]
ChEMBL Inhibition of chymotrypsin-like activity of human 26S proteasome extracted from human LNCap cells assessed as decrease in AMC hydrolysis using Suc-Leu-Leu-Val-Tyr-AMC as substrate incubated for 60 mins by fluorescence based method B 4.19 pIC50 65000 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
ChEMBL Inhibition of chymotrypsin-like activity of purified human erythrocyte 20S proteasome assessed as decrease in AMC hydrolysis using Suc-LLVY-AMC as substrate preincubated for 10 mins and measured by fluorescence based method B 5.03 pIC50 9260 nM IC50 Eur J Med Chem (2019) 167: 291-311 [PMID:30776692]
protein kinase C alpha/Protein kinase C alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL299] [GtoPdb: 1482] [UniProtKB: P17252]
ChEMBL Inhibition of Protein kinase C alpha B 4 pIC50 >100000 nM IC50 J Med Chem (1999) 42: 1018-1026 [PMID:10090785]
Protein kinase Pfmrk in Plasmodium falciparum (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4090] [UniProtKB: P90584]
ChEMBL Inhibition of Plasmodium falciparum cyclin-dependent kinase B 4.03 pIC50 93000 nM IC50 J Med Chem (2004) 47: 5418-5426 [PMID:15481979]
AKT serine/threonine kinase 1/Serine/threonine-protein kinase AKT in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4282] [GtoPdb: 1479] [UniProtKB: P31749]
ChEMBL Inhibition of Akt by fluorescence polarization assay B 4.15 pIC50 >70000 nM IC50 J Med Chem (2006) 49: 3800-3808 [PMID:16789737]
5-HT2A receptor/Serotonin 2a (5-HT2a) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL224] [GtoPdb: 6] [UniProtKB: P28223]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) B 5.52 pKi 2991 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2A radioligand binding (ligand: [3H] Ketanserin) B 4.98 pIC50 10469 nM IC50 DrugMatrix in vitro pharmacology data
5-HT2C receptor/Serotonin 2c (5-HT2c) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL225] [GtoPdb: 8] [UniProtKB: P28335]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) B 5.11 pKi 7806 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2C radioligand binding (ligand: [3H] Mesulergine) B 4.83 pIC50 14910 nM IC50 DrugMatrix in vitro pharmacology data
Sialidase in Clostridium perfringens (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5189] [UniProtKB: P10481]
ChEMBL Inhibition of Clostridium perfringens neuraminidase using 4-methylumbelliferyl-alpha-D-N-acetylneuraminic acid sodium salt hydrate as substrate by fluorimetry B 4.92 pIC50 12050 nM IC50 Bioorg Med Chem (2013) 21: 6398-6404 [PMID:24054487]
signal transducer and activator of transcription 3/Signal transducer and activator of transcription 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4026] [GtoPdb: 2994] [UniProtKB: P40763]
ChEMBL Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr before IL-6 stimulation for 6 hrs by luciferase reporter gene assay B 4.61 pIC50 24800 nM IC50 J Nat Prod (2017) 80: 3103-3111 [PMID:29140705]
Glucose transporter 4/Solute carrier family 2, facilitated glucose transporter member 4 in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1250410] [GtoPdb: 878] [UniProtKB: P14142]
ChEMBL Inhibition of GLUT4 in mouse 3T3L1 cells assessed as reduction in insulin-stimulated 2-deoxy-D-[14C]glucose uptake B 4.7 pIC50 20000 nM IC50 Medchemcomm (2016) 7: 1716-1729 [PMID:28042452]
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 5.28 pIC50 5300 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 5.28 pIC50 5248.07 nM IC50 RSC Med Chem (2023) 14: 890-898 [PMID:37252098]
Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
ChEMBL Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin B 4.4 pKd 39810.72 nM Kd J Med Chem (2008) 51: 2047-2056 [PMID:18330978]
CYP5A1/Thromboxane-A synthase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1835] [GtoPdb: 1353] [UniProtKB: P24557]
ChEMBL DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) B 5.11 pIC50 7720 nM IC50 DrugMatrix in vitro pharmacology data
transthyretin/Transthyretin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3194] [GtoPdb: 2851] [UniProtKB: P02766]
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 5.11 pIC50 7800 nM IC50 J Med Chem (2014) 57: 1090-1096 [PMID:24422526]
ABL proto-oncogene 1, non-receptor tyrosine kinase/Tyrosine-protein kinase ABL in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1862] [GtoPdb: 1923] [UniProtKB: P00519]
ChEMBL In vitro inhibition of the v-abl tyrosine kinase activity in A431 membranes using angiotensin II as phosphate acceptor as substrate B 5 pIC50 10000 nM IC50 J Med Chem (1995) 38: 2441-2448 [PMID:7608909]
BMX non-receptor tyrosine kinase/Tyrosine-protein kinase BMX in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3834] [GtoPdb: 1942] [UniProtKB: P51813]
ChEMBL Inhibition of Bmx (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay B 4.17 pIC50 67990 nM IC50 Bioorg Med Chem Lett (2014) 24: 4659-4663 [PMID:25205190]
FYN proto-oncogene, Src family tyrosine kinase/Tyrosine-protein kinase FYN in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1841] [GtoPdb: 2026] [UniProtKB: P06241]
ChEMBL Inhibition of Fyn (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay B 4.24 pIC50 58180 nM IC50 Bioorg Med Chem Lett (2014) 24: 4659-4663 [PMID:25205190]
SRC proto-oncogene, non-receptor tyrosine kinase/Tyrosine-protein kinase SRC in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL267] [GtoPdb: 2206] [UniProtKB: P12931]
ChEMBL Inhibition of Src (unknown origin) expressed in HEK293 cells assessed as decrease in phosphorylation by chemiluminescence assay B 4 pIC50 >100000 nM IC50 Bioorg Med Chem Lett (2014) 24: 4659-4663 [PMID:25205190]
ChEMBL In vitro inhibition of the c-src tyrosine kinase activity in A431 membranes using angiotensin II as phosphate acceptor as substrate B 4.12 pIC50 75000 nM IC50 J Med Chem (1995) 38: 2441-2448 [PMID:7608909]
ChEMBL Inhibition of p60 c-Src tyrosine kinase B 5 pIC50 >10000 nM IC50 J Med Chem (1999) 42: 1018-1026 [PMID:10090785]
spleen associated tyrosine kinase/Tyrosine-protein kinase SYK in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2599] [GtoPdb: 2230] [UniProtKB: P43405]
ChEMBL Inhibition of recombinant Syk B 4.41 pIC50 39000 nM IC50 Bioorg Med Chem Lett (2009) 19: 1944-1949 [PMID:19254842]
Voltage-dependent L-type calcium channel subunit alpha-1C in Guinea pig (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2366456] [UniProtKB: O35505]
ChEMBL Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes F 4.7 pIC50 20000 nM IC50 J Appl Toxicol (2012) 32: 858-866 [PMID:22761000]
Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3762] [GtoPdb: 529] [UniProtKB: P22002]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat Artery myocytes F 4.24 pIC50 57500 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles
ChEMBL Inhibition of L-type calcium channel measured using whole-cell patch clamp in rat ventricular myocytes F 4.96 pIC50 11000 nM IC50 J Appl Toxicol (2012) 32: 858-866 [PMID:22761000]
ChEMBL Inhibition of Cav1.2 calcium current measured using whole cell patch clamp in rat ventricular myocytes F 4.96 pIC50 11000 nM IC50 IC50 data for the L-type calcium channel extracted from a set of literature articles
xanthine dehydrogenase/Xanthine dehydrogenase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1929] [GtoPdb: 2646] [UniProtKB: P47989]
ChEMBL Inhibition of XO (unknown origin) B 5.45 pIC50 3530 nM IC50 J Med Chem (2023) 66: 14474-14493 [PMID:37908076]
Xanthine dehydrogenase in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3649] [UniProtKB: P80457]
ChEMBL Inhibition of bovine milk xanthine oxidase assessed as reduction in uric acid formation using xanthine as substrate preincubated for 3 hrs followed by substrate addition measured after 1 min by UV spectrophotometric assay B 5.76 pIC50 1730 nM IC50 Eur J Med Chem (2017) 135: 491-516 [PMID:28478180]
TAS2R14 in Human [GtoPdb: 668] [UniProtKB: Q9NYV8]
GtoPdb - - 4.19 pEC50 63900 nM EC50 Biochim Biophys Acta Gen Subj (2018) 1862: 2162-2173 [PMID:30009876]
TAS2R39 in Human [GtoPdb: 675] [UniProtKB: P59534]
GtoPdb - - 4.31 pEC50 49400 nM EC50 J Agric Food Chem (2011) 59: 11764-71 [PMID:21942422]

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]