17β-estradiol [Ligand Id: 1013] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL135 (Divigel, Adgyn estro, Dermestril septem 50, Dermestril 50, Progynova ts, Fematrix 40, Depo-Estradiol, Bedol, Agofollin, Oestradiol, Dermestril septem 75, Estradiol, Elleste solo mx 40, Femseven 50, Zumenon, Menorest 50, Vagifem 18, Estraderm mx 25, Fempatch, Alfatradiol, Estraderm mx 50, Estrace, Innofem, Estring, Gvnodiol, WC-3011, Elleste solo, Evorel 100, Femseven 100, Gynodiol, Estraderm tts 100, Elleste solo mx 80, Evorel 50, WC3011, Dihydrotheelin, NSC-20293, Dermestril 25, Estrogel, Menostar, Estraderm tts 25, Gynogen, Estradiol hemihydrate, Esclim, Menorest 37.5, Alora, Estraderm mx 75, Dihydroxyestrin, Aquagen, Climara, Elestrim, Vagifem 8, Estraderm mx 100, Evorel 25, NSC-9895, Estrasorb, Estraderm, Climara Pro, E-Cypionate, Fematrix 80, Menoring 50, Estraderm tts 50, Vivelle, Femseven 75, Imvexxy, Evorel 75, Sandrena, Dermestril septem 25, Dermestril 100, Gynoestryl, Menorest 75, Elestrin, Destradiol, Minivelle, Vagifem, Evamist, Gynergon, Vivelle-dot)
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
  • This target only has 1 pki data point
  • 6.63
1 CHEMBL135_lig_chart_1 Androgen Receptor HumanRat
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  • Arachidonate 15-lipoxygenase in Rabbit [ChEMBL: CHEMBL4358] [UniProtKB: P12530]
  • This target only has 0 pki data point
  • 0
2 CHEMBL135_lig_chart_2 Arachidonate 15-lipoxygenase Rabbit
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  • Corticosteroid binding globulin in Human [ChEMBL: CHEMBL2421] [UniProtKB: P08185]
  • This target only has 1 pki data point
  • 5
3 CHEMBL135_lig_chart_3 Corticosteroid binding globulin Human
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  • CYP1B1/Cytochrome P450 1B1 in Human [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
  • This target only has 1 pki data point
  • 5.72
4 CHEMBL135_lig_chart_4 Cytochrome P450 1B1 Human
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  • DAT/Dopamine transporter in Human [ChEMBL: CHEMBL238] [GtoPdb: 927] [UniProtKB: Q01959]
  • This target only has 1 pki data point
  • 4.93
5 CHEMBL135_lig_chart_5 Dopamine transporter Human
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  • Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
  • Estrogen receptor-α/Estrogen receptor alpha in Mouse [ChEMBL: CHEMBL3065] [GtoPdb: 620] [UniProtKB: P19785]
  • Estrogen receptor-α/Estrogen receptor alpha in Rat [ChEMBL: CHEMBL2724] [GtoPdb: 620] [UniProtKB: P06211]
  • 0
6 CHEMBL135_lig_chart_6 Estrogen receptor alpha HumanMouseRat
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  • Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
  • Estrogen receptor-β/Estrogen receptor beta in Mouse [ChEMBL: CHEMBL2995] [GtoPdb: 621] [UniProtKB: O08537]
  • Estrogen receptor-β/Estrogen receptor beta in Rat [ChEMBL: CHEMBL3021] [GtoPdb: 621] [UniProtKB: Q62986]
  • 0
7 CHEMBL135_lig_chart_7 Estrogen receptor beta HumanMouseRat
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  • Estrogen-related receptor-α/Estrogen-related receptor alpha in Human [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474]
  • This target only has 0 pki data point
  • 0
8 CHEMBL135_lig_chart_8 Estrogen-related receptor alpha Human
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  • Estrogen-related receptor-β/Estrogen-related receptor beta in Human [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718]
  • This target only has 0 pki data point
  • 0
9 CHEMBL135_lig_chart_9 Estrogen-related receptor beta Human
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  • Glucocorticoid receptor in Human [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150]
  • This target only has 1 pki data point
  • 4.73
10 CHEMBL135_lig_chart_10 Glucocorticoid receptor Human
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  • GPBA receptor/G-protein coupled bile acid receptor 1 in Human [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6]
  • This target only has 0 pki data point
  • 0
11 CHEMBL135_lig_chart_11 G-protein coupled bile acid receptor 1 Human
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  • GPER/G-protein coupled estrogen receptor 1 in Human [ChEMBL: CHEMBL5872] [GtoPdb: 221] [UniProtKB: Q99527]
  • 8.37
12 CHEMBL135_lig_chart_12 G-protein coupled estrogen receptor 1 Human
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  • Progesterone receptor in Bovine [ChEMBL: CHEMBL1909044] [UniProtKB: Q690N0]
  • This target only has 1 pki data point
  • 5.37
13 CHEMBL135_lig_chart_13 Progesterone receptor Bovine
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  • SERT/Serotonin transporter in Human [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645]
  • This target only has 1 pki data point
  • 5.24
14 CHEMBL135_lig_chart_14 Serotonin transporter Human
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  • Organic cation transporter 1/Solute carrier family 22 member 1 in Human [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245]
  • This target only has 0 pki data point
  • 0
15 CHEMBL135_lig_chart_15 Solute carrier family 22 member 1 Human
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  • Organic cation transporter 2/Solute carrier family 22 member 2 in Human [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244]
  • Organic cation transporter 2/Solute carrier family 22 member 2 in Rat [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2]
  • This target only has 0 pki data point
  • 0
16 CHEMBL135_lig_chart_16 Solute carrier family 22 member 2 HumanRat
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  • Organic cation transporter 3/Solute carrier family 22 member 3 in Human [ChEMBL: CHEMBL2073673] [GtoPdb: 1021] [UniProtKB: O75751]
  • Organic cation transporter 3/Solute carrier family 22 member 3 in Rat [ChEMBL: CHEMBL1770033] [GtoPdb: 1021] [UniProtKB: O88446]
  • This target only has 0 pki data point
  • 0
17 CHEMBL135_lig_chart_17 Solute carrier family 22 member 3 HumanRat
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  • Solute carrier organic anion transporter family member 1A1 in Rat [ChEMBL: CHEMBL1781859] [UniProtKB: P46720]
  • This target only has 1 pki data point
  • 5.33
18 CHEMBL135_lig_chart_18 Solute carrier organic anion transporter family member 1A1 Rat
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  • Steryl-sulfatase in Human [ChEMBL: CHEMBL3559] [UniProtKB: P08842]
  • This target only has 0 pki data point
  • 0
19 CHEMBL135_lig_chart_19 Steryl-sulfatase Human
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  • Testis-specific androgen-binding protein in Human [ChEMBL: CHEMBL3305] [UniProtKB: P04278]
  • This target only has 0 pki data point
  • 0
20 CHEMBL135_lig_chart_20 Testis-specific androgen-binding protein Human
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  • Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936]
  • This target only has 0 pki data point
  • 0
21 CHEMBL135_lig_chart_21 Voltage-gated L-type calcium channel alpha-1C subunit Human
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  • KCa1.1 in Human [GtoPdb: 380] [UniProtKB: Q12791]
  • This target only has 0 pki data point
  • 0
22 CHEMBL135_lig_chart_22 KCa1.1 Human
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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 Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Binding affinity at AR B 7.59 pIC50 26 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 6295-6298 [PMID:17890084]
ChEMBL Inhibitory activity against AR B 7.72 pIC50 19.1 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 834-838 [PMID:16309907]
ChEMBL Binding affinity to androgen receptor B 7.72 pIC50 19.1 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 2944-2948 [PMID:17448656]
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 6.63 pKi 235 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881) B 6.39 pIC50 407.38 nM IC50 J. Med. Chem. (2005) 48: 5666-5674 [PMID:16134935]
ChEMBL DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) B 6.45 pIC50 353 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 4.95 pIC50 11295 nM IC50 DrugMatrix in vitro pharmacology data
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]
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678]
ChEMBL Inhibition of human CYP1B1 expressed in supersomes using ethoxyresorufin as substrate after 20 mins in presence of NADP by Dixon plot analysis B 5.72 pKi 1900 nM Ki Eur J Med Chem (2017) 135: 296-306 [PMID:28458135]
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]
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 4.93 pKi 11847 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL DRUGMATRIX: Dopamine Transporter radioligand binding (ligand: [125I] RTI-55) B 4.83 pIC50 14911 nM IC50 DrugMatrix in vitro pharmacology data
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
ChEMBL Binding affinity to purified human ERalpha LBD assessed as dissociation constant incubated for 2 hrs by fluorescence tracer based competitive fluorometric binding assay B 8.46 pKd 3.49 nM Kd Eur J Med Chem (2019) 172: 48-61 [PMID:30939353]
ChEMBL Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay B 8.52 pKd 3 nM Kd Bioorg. Med. Chem. (2014) 22: 303-310 [PMID:24315190]
ChEMBL Binding affinity to full-length human estrogen receptor alpha B 9.7 pKd 0.2 nM Kd Bioorg. Med. Chem. (2009) 17: 3479-3488 [PMID:19359182]
ChEMBL Binding affinity to full-length human estrogen receptor alpha B 9.7 pKd 0.2 nM Kd Bioorg. Med. Chem. (2009) 17: 3528-3535 [PMID:19394231]
ChEMBL Binding affinity for human estrogen receptor alpha B 9.7 pKd 0.2 nM Kd J. Med. Chem. (2003) 46: 4032-4042 [PMID:12954056]
ChEMBL Binding affinity to human full-length ERalpha receptor B 9.7 pKd 0.2 nM Kd Eur. J. Med. Chem. (2011) 46: 2453-2462 [PMID:21481497]
ChEMBL Binding affinity to human full length estrogen receptor alpha by Scatchard plot analysis B 9.7 pKd 0.2 nM Kd J. Med. Chem. (2013) 56: 3346-3366 [PMID:23586645]
ChEMBL Binding affinity to human full length ERalpha receptor B 9.7 pKd 0.2 nM Kd Eur. J. Med. Chem. (2009) 44: 3412-3424 [PMID:19286283]
ChEMBL Displacement of [3H]estradiol from human ERalpha B 9.7 pKd 0.2 nM Kd J. Med. Chem. (2006) 49: 5001-5012 [PMID:16884312]
ChEMBL Binding affinity for human estrogen receptor alpha by displacement of [3H]estradiol B 7 pKi 100 nM Ki J. Med. Chem. (2003) 46: 4032-4042 [PMID:12954056]
ChEMBL Binding affinity to ERalpha B 7.92 pKi 12 nM Ki Bioorg. Med. Chem. Lett. (2007) 17: 3212-3216 [PMID:17379515]
ChEMBL Ability to displace [3H]17-beta-estradiol from Estrogen receptor alpha by scintillation proximity assay. B 8.66 pKi 2.2 nM Ki Bioorg. Med. Chem. Lett. (2001) 11: 1939-1942 [PMID:11459665]
ChEMBL Displacement of [3H]estradiol from full length biotinylated human ERalpha by scintillation proximity assay B 8.7 pKi 2 nM Ki Bioorg. Med. Chem. Lett. (2008) 18: 5075-5077 [PMID:18722117]
ChEMBL Binding affinity for human estrogen receptor alpha B 8.7 pKi 2 nM Ki J. Med. Chem. (2005) 48: 2243-2247 [PMID:15771467]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 9.34 pKi 0.46 nM Ki DrugMatrix in vitro pharmacology data
ChEMBL Displacement of E2-Alexa633 from GFP-tagged ERalpha expressed in COS7 cells by FACS B 9.52 pKi 0.3 nM Ki Nat. Chem. Biol. (2006) 2: 207-212 [PMID:16520733]
ChEMBL Binding Assay: The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombinant human ERalpha and ERR proteins were purified from transfected Sf9-cells. The in vitro assays involved the use of either ERalpha or ERbeta proteins and [3H]E2, at a fixed concentration of 0.5 nM, as the labeled ligand. Recombinant human ERalpha or ERbeta proteins were dissolved in binding buffer (10 mM Tris-HCL, pH 7.5, 10% glycerol, 1 mM DTT, 1 mg/ml BSA) and duplicate aliquots were then incubated with [3H]E2 at a final concentration of 0.5 nM, together with a vehicle control (0.4% DMSO), or the same amount of vehicle containing increasing concentrations of unlabeled steroid ligands as competitors. After incubation for 2 h at 25 C., the unbound ligands were removed and the amounts of [3H]E2 bound to either ERalpha or ERbeta proteins were measured. B 9.68 pKi 0.21 nM Ki US-9034854-B2. Pharmaceutical composition comprising estetrol derivatives for use in cancer therapy (2015)
ChEMBL Inhibition Assay: The method employed was adapted from the scientific literature and described in detail by Osboum et al. (1993, Biochemistry, 32, 6229-6236). Recombinant human ERalpha and ERbeta proteins were purified from transfected Sf9-cells. The in vitro assays involved the use of either ERalpha or ERbeta proteins and [3H]E2, at a fixed concentration of 0.5 nM, as the labeled ligand. Recombinant human ERalpha or ERbeta proteins were dissolved in binding buffer (10 mM Tris-HCL, pH 7.5, 10% glycerol, 1 mM DTT, 1 mg/ml BSA) and duplicate aliquots were then incubated with [3H]E2 at a final concentration of 0.5 nM, together with a vehicle control (0.4% DMSO), or the same amount of vehicle containing increasing concentrations of unlabeled steroid ligands as competitors. After incubation for 2 h at 25 C., the unbound ligands were removed and the amounts of [3H]E2 bound to either ERalpha or ERbeta proteins were measured. B 9.68 pKi 0.21 nM Ki US-9040509-B2. Method of treating human skin and a skin care composition for use in such a method (2015)
ChEMBL Displacement of [2,4,6,7-3H]estradiol from human ERalpha expressed in HeLa cells after 18 hrs by liquid scintillation counting B 9.8 pKi 0.16 nM Ki Bioorg. Med. Chem. (2010) 18: 5593-5601 [PMID:20621492]
GtoPdb - - 9.82 pKi - - - Endocrinology (1997) 138: 863-70 [PMID:9048584]
ChEMBL Inhibition of human estrogen receptor beta B 7.34 pIC50 46 nM IC50 Bioorg. Med. Chem. (2010) 18: 7675-7699 [PMID:20875743]
ChEMBL Binding affinity to ERalpha L384M/M421G mutant B 7.34 pIC50 46 nM IC50 J. Med. Chem. (2006) 49: 5404-5407 [PMID:16942012]
ChEMBL Inhibition of [3H]estradiol binding to human estrogen receptor alpha expressed in HeLa cells B 7.55 pIC50 28 nM IC50 J. Med. Chem. (2005) 48: 364-379 [PMID:15658851]
ChEMBL Inhibitory concentration against estrogen receptor alpha using radioligand binding assay. B 7.55 pIC50 28 nM IC50 J. Med. Chem. (2003) 46: 2945-2957 [PMID:12825935]
ChEMBL Antagonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay F 7.68 pIC50 21.04 nM IC50 J. Med. Chem. (2010) 53: 6947-6953 [PMID:20812681]
ChEMBL Inhibition of fluorescence-labeled 17beta-estradiol binding to ERalpha receptor after 2 hrs by fluorometric analysis B 7.74 pIC50 18 nM IC50 J. Nat. Prod. (2011) 74: 937-942 [PMID:21510635]
ChEMBL Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells B 7.9 pIC50 12.5 nM IC50 Bioorg. Med. Chem. Lett. (2009) 19: 6740-6744 [PMID:19836949]
ChEMBL Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement. B 7.96 pIC50 11 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 2327-2330 [PMID:15081034]
ChEMBL Binding affinity to ERalpha by fluorescence polarization-based competitive binding assay B 7.99 pIC50 10.12 nM IC50 J. Med. Chem. (2010) 53: 4290-4294 [PMID:20408532]
ChEMBL Displacement of [3H]estrone from ER alpha B 8 pIC50 10 nM IC50 J. Med. Chem. (2006) 49: 2440-2455 [PMID:16610787]
ChEMBL Displacement of [3H]17-beta-estradiol from human estrogen receptor alpha B 8.23 pIC50 5.9 nM IC50 J. Med. Chem. (1999) 42: 3126-3133 [PMID:10447957]
ChEMBL Displacement of Fluormone ES2 Green from full-length estrogen receptor alpha (unknown origin) after 2 hrs by fluorescence polarization assay B 8.24 pIC50 5.7 nM IC50 J Med Chem (2018) 61: 514-534 [PMID:28426931]
ChEMBL Displacement of fluorescein-labeled estrogen from human recombinant ERalpha by fluorescence polarization based competitive binding affinity assay B 8.24 pIC50 5.7 nM IC50 J. Med. Chem. (2014) 57: 9370-9382 [PMID:25369367]
ChEMBL Inhibition of fluoromone binding to recombinant human full length untagged ERalpha expressed in insect cells after 2 hrs by fluorescence polarization assay B 8.32 pIC50 4.8 nM IC50 J Nat Prod (2018) 81: 1343-1356 [PMID:29869503]
ChEMBL Binding affinity to human ERalpha B 8.33 pIC50 4.7 nM IC50 J. Med. Chem. (2007) 50: 4471-4481 [PMID:17696335]
ChEMBL Displacement of Fluormone ES2 Green from human recombinant full length ERalpha expressed in insect cells measured up to 4 hrs by fluorescence polarization assay B 8.36 pIC50 4.4 nM IC50 Bioorg Med Chem (2016) 24: 5495-5504 [PMID:27647375]
ChEMBL Binding affinity to human recombinant ERalpha receptor by liquid scintillation counter B 8.4 pIC50 4 nM IC50 Bioorg. Med. Chem. Lett. (2008) 18: 5050-5053 [PMID:18760603]
ChEMBL Inhibition of human LBD of of ERalpha B 8.44 pIC50 3.6 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 118-122 [PMID:17049855]
ChEMBL Displacement of radioligand from Estrogen receptor alpha B 8.47 pIC50 3.4 nM IC50 Bioorg. Med. Chem. Lett. (2002) 12: 1283-1285 [PMID:11965371]
ChEMBL Inhibitory concentration against human ER alpha expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand B 8.49 pIC50 3.2 nM IC50 J. Med. Chem. (2004) 47: 5021-5040 [PMID:15456246]
ChEMBL Binding affinity towards human estrogen receptor alpha(ERalpha) B 8.49 pIC50 3.2 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 2399-2403 [PMID:12824043]
ChEMBL Binding affinity for human Estrogen receptor alpha B 8.49 pIC50 3.2 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 4925-4929 [PMID:15341953]
ChEMBL Inhibition of human ERalpha by radioligand binding assay B 8.49 pIC50 3.2 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 902-906 [PMID:17188490]
ChEMBL Inhibition of human estrogen receptor alpha B 8.49 pIC50 3.2 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 3137-3142 [PMID:15876535]
ChEMBL Inhibition of [3H]17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli B 8.49 pIC50 3.2 nM IC50 J. Med. Chem. (2005) 48: 3953-3979 [PMID:15943471]
ChEMBL Binding affinity for human Estrogen receptor alpha B 8.49 pIC50 3.2 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 4520-4525 [PMID:16098741]
ChEMBL Displacement of fluorescent estrogen ES2 from human recombinant ERalpha by fluorescence polarization assay B 8.49 pIC50 3.2 nM IC50 J. Nat. Prod. (2009) 72: 1603-1607 [PMID:19705860]
ChEMBL Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha B 8.52 pIC50 3 nM IC50 Bioorg. Med. Chem. Lett. (2000) 10: 147-151 [PMID:10673099]
ChEMBL Agonist activity at human GST-tagged estrogen receptor alpha ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay B 8.59 pIC50 2.58 nM IC50 J Med Chem (2018) 61: 4720-4738 [PMID:29741891]
ChEMBL In vitro binding affinity for estrogen receptor alpha B 8.7 pIC50 2 nM IC50 Bioorg. Med. Chem. Lett. (2003) 13: 1919-1922 [PMID:12749898]
ChEMBL Luciferase Assay: Estrogen receptor-negative CV-1 kidney cells are maintained in Dulbecco's modified Eagle's medium with 4.5 g/L glucose supplemented with 10% fetal bovine serum and 100 units/ml penicillin-streptomycin at 37° C. in a humidified 5% CO2 atmosphere. The cells are then plated in 6-well dishes at a density of 2×10^5 cells per well in phenol-red free Dulbecco's modified Eagle's medium containing 10% charcoal-dextran-stripped fetal bovine serum. CV-1 cells are transfected using LipofectAMINE reagent according to the manufacturer's protocol. Transfections containing 1.5 μg of reporter plasmid (containing ERE-tk-luciferase containing a single ERE cloned upstream of the thymidine kinase promoter and luciferase gene) and 0.5 μg of either ERα or ERβ expression vector (containing CMV-ERα or CMV-ERβ full length coding sequence respectively). The next day, cells receive no treatment (controls) or are treated with estradiol alone (1 nM) or estradiol plus a compound of the invention (at varying concentrations). After 16-24 hours, cells are harvested and assayed for luciferase activity. At the outset, cell monolayers are washed twice with ice-cold phosphate-buffered saline and incubated for 15 minutes in 250 μl of 1× cell culture lysis reagent (Promega, Madison, Wis.). Cell extracts are transferred to a fresh tube and assayed using the luciferase assay system (Promega). For each assay, 10 μl of extract is diluted with 90 μl of 1× cell culture lysis reagent. Luminescence is read using an AutoLumat LB953 luminometer. B 8.72 pIC50 1.9 nM IC50 US-9422324-B2. 6-substituted demethyl-estradiol derivatives as selective ER-β agonists (2016)
ChEMBL Inhibition of ER-alpha (unknown origin) by Lanthascreen-FRET assay B 8.77 pIC50 1.7 nM IC50 Bioorg. Med. Chem. (2016) 24: 4075-4099 [PMID:27407030]
ChEMBL DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) B 8.79 pIC50 1.61 nM IC50 DrugMatrix in vitro pharmacology data
ChEMBL Binding affinity to human ER alpha B 8.8 pIC50 1.6 nM IC50 J. Med. Chem. (2006) 49: 5404-5407 [PMID:16942012]
ChEMBL Binding affinity to human recombinant ERalpha by scintillation proximity assay B 8.85 pIC50 1.4 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 2944-2948 [PMID:17448656]
ChEMBL Binding affinity to human ERalpha B 8.85 pIC50 1.4 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 834-838 [PMID:16309907]
ChEMBL Binding affinity at human recombinant ERalpha B 8.85 pIC50 1.4 nM IC50 Bioorg. Med. Chem. Lett. (2007) 17: 6295-6298 [PMID:17890084]
ChEMBL Binding affinity to ERalpha B 8.87 pIC50 1.35 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 1468-1472 [PMID:16412638]
ChEMBL Binding affinity for human estrogen receptor alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 3747-3751 [PMID:15203155]
ChEMBL Agonist activity at ERalpha (unknown origin) by cell-based assay B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. (2014) 22: 303-310 [PMID:24315190]
ChEMBL Binding potency for human ER alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 3861-3864 [PMID:15225685]
ChEMBL Inhibition of bindign to recombinant human estrogen receptor alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 107-113 [PMID:15582421]
ChEMBL Binding affinity for human estrogen receptor alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 715-718 [PMID:15664843]
ChEMBL Inhibition of estrogen receptor alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2005) 15: 1675-1681 [PMID:15745820]
ChEMBL Binding affinity against human estrogen receptor alpha in competitive binding assay B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 1417-1421 [PMID:15006374]
ChEMBL Binding affinity towards human recombinant Estrogen receptor alpha was determined B 8.89 pIC50 1.3 nM IC50 J. Med. Chem. (2004) 47: 2171-2175 [PMID:15084115]
ChEMBL Binding affinity for human estrogen receptor alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 3753-3755 [PMID:15203156]
ChEMBL Binding affinity to human recombinant ERalpha by scintillation proximity assay B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 4652-4656 [PMID:16777408]
ChEMBL Binding affinity to human ERalpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 3896-3901 [PMID:16730987]
ChEMBL Binding affinity to ERalpha by scintillation proximity assay B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2006) 16: 3489-3494 [PMID:16632357]
ChEMBL Binding potency for human ER alpha B 8.89 pIC50 1.3 nM IC50 Bioorg. Med. Chem. Lett. (2004) 14: 3865-3868 [PMID:15225686]
ChEMBL Displacement of [3H]E2 from human recombinant ERalpha LBD by SPA B 8.92 pIC50