estrone [Ligand Id: 2818] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1405 (NSC-9699, Estrone, Oestrone, Natural estrogenic substance-estrone, Theelin, WAY 164397, Estrogenic substance)
  • 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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  • Corticosteroid binding globulin in Human [ChEMBL: CHEMBL2421] [UniProtKB: P08185]
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  • Estradiol 17-beta-dehydrogenase 1 in Human [ChEMBL: CHEMBL3181] [UniProtKB: P14061]
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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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  • 5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
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  • Solute carrier organic anion transporter family member 1A1 in Rat [ChEMBL: CHEMBL1781859] [UniProtKB: P46720]
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  • Testis-specific androgen-binding protein in Human [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
ChEMBL DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) B 5.11 pKi 7745 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) B 4.93 pIC50 11617 nM IC50 DrugMatrix in vitro pharmacology data
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
ChEMBL DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) B 5.18 pIC50 6589 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 TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cells F 5 pIC50 >10000 nM IC50 Mol. Cancer Ther. (2003) 2: 105-112 [PMID:12533678]
ChEMBL TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cells F 5.52 pIC50 3000 nM IC50 Mol. Cancer Ther. (2003) 2: 105-112 [PMID:12533678]
Corticosteroid binding globulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2421] [UniProtKB: P08185]
ChEMBL In silico binding affinity to human corticosteriod binding globulin B 4 pKd 4 - -Log Kdiss J. Med. Chem. (1997) 40: 3161-3172 [PMID:9379435]
ChEMBL Binding affinity to human CBG receptor (corticosteroid-binding globulins) B 5 pKi 10000 nM Ki J. Med. Chem. (2004) 47: 2732-2742 [PMID:15139751]
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511]
ChEMBL Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD B 5.6 pKi 2500 nM Ki Eur. J. Med. Chem. (2015) 105: 1-38 [PMID:26469743]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45 mins in presence of NADPH by fluorescence assay B 4.3 pIC50 >50000 nM IC50 Bioorg Med Chem Lett (2016) 26: 5272-5276 [PMID:27687674]
Estradiol 17-beta-dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3181] [UniProtKB: P14061]
ChEMBL Inhibition of human estradiol 17beta-dehydrogenase B 5.02 pKi 9500 nM Ki J. Med. Chem. (2011) 54: 2529-2591 [PMID:21413808]
ChEMBL Inhibition of 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+ B 8.52 pKi 3 nM Ki Eur. J. Med. Chem. (2008) 43: 2298-2306 [PMID:18372081]
ChEMBL Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADH B 6.09 pIC50 810 nM IC50 Eur. J. Med. Chem. (2008) 43: 2298-2306 [PMID:18372081]
ChEMBL Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol B 6.22 pIC50 600 nM IC50 Eur. J. Med. Chem. (2008) 43: 2298-2306 [PMID:18372081]
ChEMBL Inhibition of 17-beta HSD1 in T47D cells F 6.48 pIC50 330 nM IC50 J. Med. Chem. (2006) 49: 1325-1345 [PMID:16480268]
ChEMBL Inhibition of 17beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]-estrone into [14C]estrogen B 6.66 pIC50 218 nM IC50 Bioorg. Med. Chem. (2008) 16: 1849-1860 [PMID:18035543]
ChEMBL Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting B 6.96 pIC50 109 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 6740-6744 [PMID:19836949]
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
GtoPdb - - 8.5 pKi - - - Endocrinology (1997) 138: 863-70 [PMID:9048584]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 8.66 pKi 2.19 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement. B 6.68 pIC50 210 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells B 7.02 pIC50 96 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 6740-6744 [PMID:19836949]
ChEMBL Displacement of [3H]estrone from ER alpha B 7.54 pIC50 29 nM IC50 J. Med. Chem. (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 8.12 pIC50 7.65 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor alpha. B 6.32 pEC50 480 nM EC50 J. Med. Chem. (2002) 45: 1399-1401 [PMID:11906280]
ChEMBL Ability to activate estrogen receptor 1-mediated transcription. F 6.92 pEC50 120 nM EC50 Bioorg. Med. Chem. Lett. (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Activity at human recombinant ERalpha by fluorescence polarization assay B 8.15 pEC50 7 nM EC50 J. Med. Chem. (2009) 52: 6660-6671 [PMID:19824648]
ChEMBL Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha. B 9.15 pEC50 0.7 nM EC50 J. Med. Chem. (2002) 45: 1399-1401 [PMID:11906280]
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
GtoPdb - - 7.93 pKi - - - Endocrinology (1997) 138: 863-70 [PMID:9048584]
ChEMBL Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. B 6.27 pIC50 540 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Displacement of [3H]estrone from ER beta B 7.51 pIC50 31 nM IC50 J. Med. Chem. (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor beta. B 5.95 pEC50 1135 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 at 10 uM F 6.78 pEC50 166 nM EC50 J. Med. Chem. (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Ability to activate estrogen receptor 2-mediated transcription. F 6.92 pEC50 120 nM EC50 Bioorg. Med. Chem. Lett. (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay F 7.59 pEC50 26 nM EC50 J. Med. Chem. (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Activity at human recombinant ERbeta by fluorescence polarization assay B 8.1 pEC50 8 nM EC50 J. Med. Chem. (2009) 52: 6660-6671 [PMID:19824648]
ChEMBL Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta. B 8.68 pEC50 2.1 nM EC50 J. Med. Chem. (2002) 45: 1399-1401 [PMID:11906280]
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364]
ChEMBL Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay F 4.9 pIC50 12589.25 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay F 5.1 pIC50 7943.28 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay F 5.2 pIC50 6309.57 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
ChEMBL Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay F 5.4 pIC50 3981.07 nM IC50 Nat. Chem. Biol. (2009) 5: 765-771 [PMID:19734910]
Progesterone receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1909044] [UniProtKB: Q690N0]
ChEMBL DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) B 5.68 pKi 2100 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) B 4.79 pIC50 16098 nM IC50 DrugMatrix in vitro pharmacology data
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595]
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 5.06 pKi 8676 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) B 4.87 pIC50 13630 nM IC50 DrugMatrix in vitro pharmacology data
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
ChEMBL DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) B 5.55 pKi 2816 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) B 5.28 pIC50 5301 nM IC50 DrugMatrix in vitro pharmacology data
Solute carrier organic anion transporter family member 1A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781859] [UniProtKB: P46720]
ChEMBL TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells F 4.8 pKi 15700 nM Ki Am. J. Physiol. (1996) 270: F326-F331 [PMID:8779894]
Steryl-sulfatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559] [UniProtKB: P08842]
ChEMBL Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay B 4.29 pIC50 51000 nM IC50 Bioorg. Med. Chem. (2011) 19: 5999-6005 [PMID:21925885]
Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
ChEMBL Binding affinity towards human testosterone binding globulin. B 7.18 pKd 7.18 - -Log Kdiss J. Med. Chem. (1997) 40: 3161-3172 [PMID:9379435]
ChEMBL Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin B 8.18 pKd 6.61 nM Kd J. Med. Chem. (2008) 51: 2047-2056 [PMID:18330978]

ChEMBL data shown on this page come from version 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]