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, Genisteine-alkaloid, Isosparteine, alpha-, NPI-031L, NSC-36586, NSC-366737, SIPI-807-1, Sophoricol, Sparteine l-.alpha.-isosparteine)
  • 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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  • 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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  • 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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  • 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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  • 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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  • 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
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]
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
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]
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 (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]
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 (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]
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 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 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 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 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 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 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 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 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 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 [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 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 Binding affinity for human Estrogen receptor beta B 8 pIC50 10 nM IC50 Bioorg Med Chem Lett (2004) 14: 4925-4929 [PMID:15341953]
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]
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 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]
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]
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 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 33:

Mendez D, Gaulton A, Bento AP, Chambers J, De Veij M, Félix E, Magariños MP, Mosquera JF, Mutowo P, Nowotka M, Gordillo-Marañón M, Hunter F, Junco L, Mugumbate G, Rodriguez-Lopez M, Atkinson F, Bosc N, Radoux CJ, Segura-Cabrera A, Hersey A, Leach AR. (2019) 'ChEMBL: towards direct deposition of bioassay data' Nucleic Acids Res., 47(D1). DOI: 10.1093/nar/gky1075. [EPMCID:30398643]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]