[3H]17β-estradiol [Ligand Id: 1012] activity data from GtoPdb and ChEMBL
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| ChEMBL ligand: CHEMBL135 (17.beta.-estradiol, 17beta-estradiol, 17-beta-oestradiol, 17-.beta.-oestradiol, Adgyn estro, Agofollin, Alfatradiol, Alora, Aquagen, Bedol, Climara, Climara Pro, Depo-Estradiol, Dermestril 100, Dermestril 25, Dermestril 50, Dermestril septem 25, Dermestril septem 50, Dermestril septem 75, Destradiol, Dihydrotheelin, Dihydroxyestrin, Divigel, E-Cypionate, Elestrim, Elestrin, Elleste solo, Elleste solo mx 40, Elleste solo mx 80, Esclim, Estrace, Estraderm, Estraderm mx 100, Estraderm mx 25, Estraderm mx 50, Estraderm mx 75, Estraderm tts 100, Estraderm tts 25, Estraderm tts 50, Estradiol, Estradiol 17-beta, Estradiol anhydrous, Estradiol hemihydrate, Estradiol valerate metabolite e2, Estrasorb, Estring, Estrogel, Evamist, Evorel 100, Evorel 25, Evorel 50, Evorel 75, Fematrix 40, Fematrix 80, Fempatch, Femseven 100, Femseven 50, Femseven 75, Gvnodiol, Gynergon, Gynodiol, Gynoestryl, Gynogen, Imvexxy, Innofem, Menorest 37.5, Menorest 50, Menorest 75, Menoring 50, Menostar, Minivelle, NSC-20293, NSC-9895, Oestradiol, Progynova ts, Sandrena, Vagifem, Vagifem 18, Vagifem 8, Vivelle, Vivelle-dot, WC-3011, WC3011, Zumenon) |
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| DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
|---|---|---|---|---|---|---|---|---|
| Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [UniProtKB: P37840] | ||||||||
| ChEMBL | Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assay | B | 4.22 | pIC50 | 60000 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
| 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 | Binding affinity to human ERalpha by competitive fluorometric receptor binding assay | B | 8.96 | pKi | 1.1 | nM | Ki | J Med Chem (2022) 65: 3632-3643 [PMID:35164509] |
| 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 | 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 | 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 | 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] |
| 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 (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 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 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 | 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 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 potency for human ER alpha | B | 8.89 | pIC50 | 1.3 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3865-3868 [PMID:15225686] |
| 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 | 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 | 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 | Displacement of [3H]E2 from human recombinant ERalpha LBD by SPA | B | 8.92 | pIC50 | 1.2 | nM | IC50 | J Med Chem (2006) 49: 7357-7365 [PMID:17149865] |
| ChEMBL | Displacement of [3H]estradiol from full length human recombinant ERalpha after 3 hrs by scintillation proximity assay | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 2322-2328 [PMID:17289385] |
| ChEMBL | Inhibition of estrogen receptor alpha (unknown origin)-SRC1 coactivator interaction incubated for 1 hr by receptor cofactor assay system based method | B | 9.05 | pIC50 | 0.9 | nM | IC50 | Bioorg Med Chem (2015) 23: 4132-4138 [PMID:26183544] |
| ChEMBL | Displacement of [3H]E2 from GST-fused ERalpha-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation counting method | B | 9.09 | pIC50 | 0.82 | nM | IC50 | Bioorg Med Chem (2017) 25: 5216-5237 [PMID:28882502] |
| ChEMBL | Displacement of [3H]17beta-estradiol from recombinant human ERalpha expressed in 293T cells | B | 9.12 | pIC50 | 0.75 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463] |
| ChEMBL | Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERalpha ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method | B | 9.14 | pIC50 | 0.72 | nM | IC50 | Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182] |
| ChEMBL | Binding affinity of ERalpha LBD (unknown origin) incubated for 2 hrs by LanthaScreen TR-FRET assay | B | 9.24 | pIC50 | 0.58 | nM | IC50 | J Med Chem (2021) 64: 12651-12669 [PMID:34415160] |
| ChEMBL | Binding affinity to estrogen receptor-alpha after 2 hrs by TR-FRET assay | B | 9.24 | pIC50 | 0.57 | nM | IC50 | Bioorg Med Chem (2011) 19: 5093-5102 [PMID:21839641] |
| ChEMBL | Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FRET assay | B | 9.39 | pIC50 | 0.41 | nM | IC50 | ACS Med Chem Lett (2017) 8: 102-106 [PMID:28105283] |
| ChEMBL | Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay | B | 9.48 | pIC50 | 0.33 | nM | IC50 | Eur J Med Chem (2020) 192: 112191-112191 [PMID:32169784] |
| ChEMBL | Displacement of fluorescent-labeled E2 from LBD of ERalpha (unknown origin) by TR-FRET assay | B | 9.48 | pIC50 | 0.33 | nM | IC50 | J Med Chem (2021) 64: 5766-5786 [PMID:33904307] |
| ChEMBL | Agonist activity at GAL4 DNA-binding domain fused ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay | B | 9.97 | pIC50 | 0.11 | nM | IC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Agonist activity at human N-terminal His6-tagged ERalpha receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide recruitment after 1 hr by fluorescence polarization assay | F | 6.89 | pEC50 | 130 | nM | EC50 | J Med Chem (2011) 54: 2005-2011 [PMID:21381753] |
| ChEMBL | Agonist activity at ERalpha expressed in CHO-K1 cells by luciferase reporter gene transactivation assay | F | 7.3 | pEC50 | 50 | nM | EC50 | J Med Chem (2010) 53: 5361-5365 [PMID:20553023] |
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor alpha. | B | 7.62 | pEC50 | 24 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
| ChEMBL | Agonist activity at human ERalpha LBD in human MCF7 cells assessed as induction of cell proliferation after up to 6 days by celltiter-glo assay | F | 8 | pEC50 | 10 | nM | EC50 | J Med Chem (2011) 54: 788-808 [PMID:21218783] |
| ChEMBL | Displacement of fluorescent ES2 from recombinant human ERalpha after 2 hrs in absence of light by fluorometric analysis | B | 8.24 | pEC50 | 5.7 | nM | EC50 | Bioorg Med Chem (2016) 24: 5400-5409 [PMID:27647367] |
| ChEMBL | Agonist activity at estrogen receptor alpha ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay | B | 8.49 | pEC50 | 3.2 | nM | EC50 | J Nat Prod (2009) 72: 1944-1948 [PMID:19863083] |
| ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled ERalpha ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay | B | 8.52 | pEC50 | 3 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at ERalpha-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay | F | 8.56 | pEC50 | 2.77 | nM | EC50 | J Med Chem (2010) 53: 6947-6953 [PMID:20812681] |
| ChEMBL | Agonist activity at human ERalpha E353A mutant expressed in HEK293T cells co-expressing ERE assessed as transactivation activity by luciferase reporter gene assay | F | 8.6 | pEC50 | 2.5 | nM | EC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
| ChEMBL | In vitro agonist activity for estrogen receptor alpha expressed in COS-1 cells | F | 8.62 | pEC50 | 2.4 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1463-1466 [PMID:15713407] |
| ChEMBL | Binding affinity to ER (unknown origin) expressed in UAS-bla GripTite 293 cells by Select screen competitive binding assay | B | 8.64 | pEC50 | 2.3 | nM | EC50 | Bioorg Med Chem (2017) 25: 5569-5575 [PMID:28886996] |
| ChEMBL | Agonist activity at human ERalpha expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay | F | 8.66 | pEC50 | 2.2 | nM | EC50 | J Med Chem (2012) 55: 2324-2341 [PMID:22283328] |
| ChEMBL | Agonist activity at human estrogen receptor-alpha by yeast two-hybrid assay in presence of SRC1 | B | 8.97 | pEC50 | 1.08 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 3329-3333 [PMID:23608764] |
| ChEMBL | Agonist activity at ERalpha expressed in yeast assessed as alpha-galactosidase activity | F | 8.98 | pEC50 | 1.05 | nM | EC50 | J Med Chem (2010) 53: 5361-5365 [PMID:20553023] |
| ChEMBL | Agonist activity at ERalpha receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay | F | 8.98 | pEC50 | 1.05 | nM | EC50 | Eur J Med Chem (2012) 54: 188-196 [PMID:22647217] |
| ChEMBL | Agonist activity at ER (unknown origin) by Alpha Screen assay | B | 9 | pEC50 | 1 | nM | EC50 | Medchemcomm (2019) 10: 1412-1419 [PMID:31673308] |
| ChEMBL | Agonist activity at human ER | B | 9 | pEC50 | 1 | nM | EC50 | J Med Chem (2016) 59: 9201-9214 [PMID:27652492] |
| ChEMBL | Agonist activity at ERalpha expressed in HEK293 cells by transactivation assay | F | 9.12 | pEC50 | 0.75 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 6295-6298 [PMID:17890084] |
| ChEMBL | Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERalpha | F | 9.12 | pEC50 | 0.75 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 834-838 [PMID:16309907] |
| ChEMBL | Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assay | F | 9.12 | pEC50 | 0.75 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 2944-2948 [PMID:17448656] |
| ChEMBL | Agonist activity at full-length human estrogen receptor alpha expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay | F | 9.15 | pEC50 | 0.7 | nM | EC50 | J Med Chem (2009) 52: 858-867 [PMID:19128016] |
| ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERalpha ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay | B | 9.25 | pEC50 | 0.56 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity in transcriptional activation assay in MCF-7-2a cells compared to estradiol E2 | F | 9.31 | pEC50 | 0.49 | nM | EC50 | J Med Chem (2002) 45: 3356-3365 [PMID:12139447] |
| ChEMBL | Ability to activate estrogen receptor 1-mediated transcription. | F | 9.32 | pEC50 | 0.48 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
| ChEMBL | Estrogenic activity at human estrogen receptor expressing Saccharomyces cerevisiae carrying estrogen responsive sequence containing plasmid assessed as metabolism of chlorophenol res beta-D-galactopyranoside | B | 9.43 | pEC50 | 0.37 | nM | EC50 | J Nat Prod (2004) 67: 1829-1832 [PMID:15568770] |
| ChEMBL | Agonist activity at estrogen receptor alpha (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay | B | 9.51 | pEC50 | 0.31 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assay | B | 9.51 | pEC50 | 0.31 | nM | EC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Agonist activity at full length human ERalpha receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase reporter gene assay | B | 9.51 | pEC50 | 0.31 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
| ChEMBL | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assay | B | 9.59 | pEC50 | 0.26 | nM | EC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Agonist activity at ERalpha (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay | B | 9.68 | pEC50 | 0.21 | nM | EC50 | Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182] |
| ChEMBL | Estrogenic activity at estrogen receptor alpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-Nitrophenol phosphate as substrate pretreated for 96 hrs followed by substrate addition measured every 15 secs by scanning spectrophotometric analysis | B | 9.7 | pEC50 | 0.2 | nM | EC50 | J Nat Prod (2017) 80: 2284-2294 [PMID:28812892] |
| ChEMBL | Agonist activity at human ERalpha expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene transfection assay | B | 9.8 | pEC50 | 0.16 | nM | EC50 | J Med Chem (2015) 58: 1184-1194 [PMID:25559213] |
| ChEMBL | Agonist activity at human ERalpha expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay | F | 9.82 | pEC50 | 0.15 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activity by luciferase reporter gene assay | B | 9.89 | pEC50 | 0.13 | nM | EC50 | Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565] |
| ChEMBL | Agonist activity at human ERalpha expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay | F | 9.91 | pEC50 | 0.12 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at recombinant human GAL4-fused ERalpha expressed in HEk293 cells by luciferase reporter gene assay | B | 9.96 | pEC50 | 0.11 | nM | EC50 | Bioorg Med Chem (2018) 26: 1638-1642 [PMID:29525335] |
| ChEMBL | Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor alpha (unknown origin) by FRET-based assay | B | 9.97 | pEC50 | 0.11 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | Agonist activity at ER-alpha (unknown origin) transfected in HEK293T cells after 24 hrs by Steady-Glo luciferase reporter gene assay | B | 10 | pEC50 | 0.1 | nM | EC50 | Medchemcomm (2013) 4: 1439-1442 |
| ChEMBL | Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay | F | 10 | pEC50 | 0.1 | nM | EC50 | Eur J Med Chem (2009) 44: 3412-3424 [PMID:19286283] |
| ChEMBL | Activation of ERalpha in human MCF7/2a cells by luciferase reporter gene assay relative to untreated control | B | 10 | pEC50 | 0.1 | nM | EC50 | J Med Chem (2012) 55: 9607-9618 [PMID:23043242] |
| ChEMBL | Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalpha degradation by luciferase reporter gene assay | B | 10.05 | pEC50 | 0.09 | nM | EC50 | Bioorg Med Chem (2019) 27: 1952-1961 [PMID:30940565] |
| ChEMBL | Agonist activity at human full-length ERalpha receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay | F | 10.05 | pEC50 | 0.09 | nM | EC50 | Eur J Med Chem (2011) 46: 2453-2462 [PMID:21481497] |
| ChEMBL | Concentration required to activate luciferase expression in MCF-7-2a cells | F | 10.1 | pEC50 | 0.08 | nM | EC50 | J Med Chem (2004) 47: 915-927 [PMID:14761193] |
| ChEMBL | Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alpha | F | 10.15 | pEC50 | 0.07 | nM | EC50 | J Med Chem (2002) 45: 5492-5505 [PMID:12459017] |
| ChEMBL | Transactivation of human ERalpha expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay | B | 10.19 | pEC50 | 0.06 | nM | EC50 | J Med Chem (2010) 53: 4290-4294 [PMID:20408532] |
| ChEMBL | Transcriptional activation of ERalpha receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay | B | 10.3 | pEC50 | 0.05 | nM | EC50 | Eur J Med Chem (2012) 54: 188-196 [PMID:22647217] |
| ChEMBL | Estrogenic activity at estrogen receptor in human Ishikawa Var-1 cells assessed as stimulation of alkaline phosphatase activity measured by metabolism of p-nitrophenol phosphatase after 72 hrs | B | 10.33 | pEC50 | 0.05 | nM | EC50 | J Nat Prod (2004) 67: 1829-1832 [PMID:15568770] |
| ChEMBL | Agonist activity at ERalpha expressed in HEK cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay | F | 10.34 | pEC50 | 0.05 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 5680-5683 [PMID:21885279] |
| ChEMBL | Agonist activity at human ERalpha expressed in HEK293 cells by luciferase reporter gene assay | B | 10.62 | pEC50 | 0.02 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
| ChEMBL | Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha. | B | 10.7 | pEC50 | 0.02 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
| ChEMBL | Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30 mins at RT | B | 10.72 | pEC50 | 0.02 | nM | EC50 | J Med Chem (2005) 48: 5989-6003 [PMID:16162002] |
| ChEMBL | Transcriptional potency (EC50) at Human estrogen receptor alpha | B | 10.74 | pEC50 | 0.02 | nM | EC50 | J Med Chem (2001) 44: 4230-4251 [PMID:11708925] |
| ChEMBL | Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter | F | 11 | pEC50 | 0.01 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463] |
| Estrogen receptor-α/Estrogen receptor alpha in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3065] [GtoPdb: 620] [UniProtKB: P19785] | ||||||||
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to mouse ER alpha expressed in Escherichia coli | B | 8.66 | pIC50 | 2.2 | nM | IC50 | J Med Chem (2004) 47: 5021-5040 [PMID:15456246] |
| Estrogen receptor-α/Estrogen receptor alpha in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2724] [GtoPdb: 620] [UniProtKB: P06211] | ||||||||
| ChEMBL | Binding to Estrogen receptor- alpha (ER alpha) receptor | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 2875-2878 [PMID:12270167] |
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to rat ER alpha expressed in Escherichia coli | B | 8.72 | pIC50 | 1.9 | nM | IC50 | J Med Chem (2004) 47: 5021-5040 [PMID:15456246] |
| Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] | ||||||||
| ChEMBL | Binding affinity to ERbeta (unknown origin) assessed as dissociation constant incubated for 2 hrs by fluorescence tracer based competitive fluorometric binding assay | B | 8.39 | pKd | 4.12 | nM | Kd | Eur J Med Chem (2019) 172: 48-61 [PMID:30939353] |
| ChEMBL | Displacement of [3H]estradiol from human ERbeta | B | 9.3 | pKd | 0.5 | nM | Kd | J Med Chem (2006) 49: 5001-5012 [PMID:16884312] |
| ChEMBL | Binding affinity to full-length human estrogen receptor beta | B | 9.3 | pKd | 0.5 | nM | Kd | Bioorg Med Chem (2009) 17: 3479-3488 [PMID:19359182] |
| ChEMBL | Binding affinity to full-length human estrogen receptor beta | B | 9.3 | pKd | 0.5 | nM | Kd | Bioorg Med Chem (2009) 17: 3528-3535 [PMID:19394231] |
| ChEMBL | Binding affinity for human estrogen receptor beta | B | 9.3 | pKd | 0.5 | nM | Kd | J Med Chem (2003) 46: 4032-4042 [PMID:12954056] |
| ChEMBL | Binding affinity to human full-length ERbeta receptor | B | 9.3 | pKd | 0.5 | nM | Kd | Eur J Med Chem (2011) 46: 2453-2462 [PMID:21481497] |
| ChEMBL | Binding affinity to human full length estrogen receptor beta by Scatchard plot analysis | B | 9.3 | pKd | 0.5 | nM | Kd | J Med Chem (2013) 56: 3346-3366 [PMID:23586645] |
| ChEMBL | Binding affinity to human full length ERbeta receptor | B | 9.3 | pKd | 0.5 | nM | Kd | Eur J Med Chem (2009) 44: 3412-3424 [PMID:19286283] |
| ChEMBL | Relative binding affinity for human estrogen receptor beta compared to [3H]-estradiol | B | 7 | pKi | 100 | nM | Ki | J Med Chem (2003) 46: 4032-4042 [PMID:12954056] |
| ChEMBL | Ability to displace [3H]17-beta-estradiol from Estrogen receptor beta by scintillation proximity assay. | B | 8.46 | pKi | 3.5 | nM | Ki | Bioorg Med Chem Lett (2001) 11: 1939-1942 [PMID:11459665] |
| ChEMBL | Binding affinity for human estrogen receptor beta | B | 8.5 | pKi | 3.16 | nM | Ki | J Med Chem (2005) 48: 2243-2247 [PMID:15771467] |
| ChEMBL | Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay | B | 8.7 | pKi | 2 | nM | Ki | Bioorg Med Chem Lett (2008) 18: 5075-5077 [PMID:18722117] |
| ChEMBL | Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS | B | 9.42 | pKi | 0.38 | 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 | 10.82 | pKi | 0.01 | 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 | 10.82 | pKi | 0.01 | nM | Ki | US-9040509-B2. Method of treating human skin and a skin care composition for use in such a method (2015) |
| ChEMBL | Inhibition of [3H]estradiol binding to human estrogen receptor beta expressed in HeLa cells | B | 7.62 | pIC50 | 24 | nM | IC50 | J Med Chem (2005) 48: 364-379 [PMID:15658851] |
| ChEMBL | Inhibitory concentration against estrogen receptor 2 using radioligand binding assay. | B | 7.62 | pIC50 | 24 | nM | IC50 | J Med Chem (2003) 46: 2945-2957 [PMID:12825935] |
| ChEMBL | Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. | B | 7.72 | pIC50 | 19 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
| ChEMBL | Binding affinity to human ERbeta | B | 7.78 | pIC50 | 16.7 | nM | IC50 | J Med Chem (2007) 50: 4471-4481 [PMID:17696335] |
| ChEMBL | Binding affinity to ERbeta by fluorescence polarization-based competitive binding assay | B | 7.95 | pIC50 | 11.35 | nM | IC50 | J Med Chem (2010) 53: 4290-4294 [PMID:20408532] |
| ChEMBL | Displacement of [3H]estrone from ER beta | B | 7.96 | pIC50 | 11 | nM | IC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
| ChEMBL | Antagonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by luciferase reporter gene assay | F | 7.97 | pIC50 | 10.74 | nM | IC50 | J Med Chem (2010) 53: 6947-6953 [PMID:20812681] |
| ChEMBL | Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assay | B | 8.18 | pIC50 | 6.65 | nM | IC50 | Eur J Med Chem (2017) 138: 830-853 [PMID:28735214] |
| ChEMBL | Displacement of Fluormone ES2 Green from full-length estrogen receptor beta (unknown origin) after 2 hrs by fluorescence polarization assay | B | 8.25 | pIC50 | 5.6 | nM | IC50 | J Med Chem (2018) 61: 514-534 [PMID:28426931] |
| ChEMBL | Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay | B | 8.25 | pIC50 | 5.6 | nM | IC50 | J Med Chem (2014) 57: 9370-9382 [PMID:25369367] |
| ChEMBL | Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta | B | 8.4 | pIC50 | 4 | nM | IC50 | Bioorg Med Chem Lett (2000) 10: 147-151 [PMID:10673099] |
| ChEMBL | Binding affinity to human recombinant ERbeta 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 [3H]17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli | B | 8.44 | pIC50 | 3.6 | nM | IC50 | J Med Chem (2005) 48: 3953-3979 [PMID:15943471] |
| ChEMBL | Binding affinity towards human estrogen receptor beta (ERbeta) | B | 8.44 | pIC50 | 3.6 | nM | IC50 | Bioorg Med Chem Lett (2003) 13: 2399-2403 [PMID:12824043] |
| ChEMBL | Binding affinity for human Estrogen receptor beta | B | 8.44 | pIC50 | 3.6 | 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 | 8.44 | pIC50 | 3.6 | nM | IC50 | J Med Chem (2004) 47: 5021-5040 [PMID:15456246] |
| ChEMBL | Inhibition of human estrogen receptor beta | B | 8.44 | pIC50 | 3.6 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3137-3142 [PMID:15876535] |
| ChEMBL | Binding affinity for human Estrogen receptor beta | B | 8.44 | pIC50 | 3.6 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 4520-4525 [PMID:16098741] |
| ChEMBL | Inhibition of human ERbeta by radioligand binding assay | B | 8.44 | pIC50 | 3.6 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 902-906 [PMID:17188490] |
| ChEMBL | Inhibition of human LBD of ERbeta | B | 8.49 | pIC50 | 3.2 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 118-122 [PMID:17049855] |
| ChEMBL | Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay | B | 8.52 | pIC50 | 3 | nM | IC50 | Bioorg Med Chem (2016) 24: 4075-4099 [PMID:27407030] |
| ChEMBL | Displacement of fluorescent estrogen ES2 from human recombinant ERbeta by fluorescence polarization assay | B | 8.54 | pIC50 | 2.9 | nM | IC50 | J Nat Prod (2009) 72: 1603-1607 [PMID:19705860] |
| ChEMBL | Agonist activity at human GST-tagged estrogen receptor beta ligand binding domain assessed as coactivator peptide PGC1a recruitment by TR-FRET assay | B | 8.55 | pIC50 | 2.79 | nM | IC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | In vitro binding affinity for estrogen receptor beta | 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 | 8.77 | pIC50 | 1.7 | nM | IC50 | US-9422324-B2. 6-substituted demethyl-estradiol derivatives as selective ER-β agonists (2016) |
| ChEMBL | Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation counting method | B | 8.8 | pIC50 | 1.59 | nM | IC50 | Bioorg Med Chem (2017) 25: 5216-5237 [PMID:28882502] |
| ChEMBL | Binding affinity to human ER beta | B | 8.85 | pIC50 | 1.4 | nM | IC50 | J Med Chem (2006) 49: 5404-5407 [PMID:16942012] |
| ChEMBL | Displacement of [3H]E2 from human recombinant ERbeta LBD by SPA | B | 8.85 | pIC50 | 1.4 | nM | IC50 | J Med Chem (2006) 49: 7357-7365 [PMID:17149865] |
| ChEMBL | Inhibition of fluoromone binding to recombinant human full length untagged ERbeta expressed in insect cells after 2 hrs by fluorescence polarization assay | B | 8.89 | pIC50 | 1.28 | nM | IC50 | J Nat Prod (2018) 81: 1343-1356 [PMID:29869503] |
| ChEMBL | Binding affinity to ERbeta | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 1468-1472 [PMID:16412638] |
| ChEMBL | Binding affinity to human ERbeta | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 834-838 [PMID:16309907] |
| ChEMBL | Binding affinity to ERbeta by scintillation proximity assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 3489-3494 [PMID:16632357] |
| ChEMBL | Binding affinity to human ERbeta | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 3896-3901 [PMID:16730987] |
| ChEMBL | Binding affinity at human recombinant ERbeta | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 6295-6298 [PMID:17890084] |
| ChEMBL | Binding affinity to human recombinant ERbeta by scintillation proximity assay | B | 8.92 | pIC50 | 1.2 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 2944-2948 [PMID:17448656] |
| ChEMBL | Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells | B | 8.93 | pIC50 | 1.18 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463] |
| ChEMBL | Inhibition of binding to recombinant human estrogen receptor beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 107-113 [PMID:15582421] |
| ChEMBL | Binding affinity for human estrogen receptor beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3753-3755 [PMID:15203156] |
| ChEMBL | Binding affinity towards human recombinant Estrogen receptor beta was determined | B | 8.96 | pIC50 | 1.1 | nM | IC50 | J Med Chem (2004) 47: 2171-2175 [PMID:15084115] |
| ChEMBL | Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 1417-1421 [PMID:15006374] |
| ChEMBL | Inhibition of estrogen receptor beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 1675-1681 [PMID:15745820] |
| ChEMBL | Binding affinity for human estrogen receptor beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 715-718 [PMID:15664843] |
| ChEMBL | Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2005) 15: 3912-3916 [PMID:15993065] |
| ChEMBL | Binding affinity for human estrogen receptor beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3747-3751 [PMID:15203155] |
| ChEMBL | Binding potency for human ER beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3861-3864 [PMID:15225685] |
| ChEMBL | Binding potency for human ER beta | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 3865-3868 [PMID:15225686] |
| ChEMBL | Binding affinity to human recombinant ERbeta by scintillation proximity assay | B | 8.96 | pIC50 | 1.1 | nM | IC50 | Bioorg Med Chem Lett (2006) 16: 4652-4656 [PMID:16777408] |
| ChEMBL | Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay | B | 8.99 | pIC50 | 1.02 | nM | IC50 | Eur J Med Chem (2020) 192: 112191-112191 [PMID:32169784] |
| ChEMBL | Displacement of fluorescent-labeled E2 from LBD of ERbeta (unknown origin) by TR-FRET assay | B | 8.99 | pIC50 | 1.02 | nM | IC50 | J Med Chem (2021) 64: 5766-5786 [PMID:33904307] |
| ChEMBL | Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay | B | 9 | pIC50 | 1 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 2322-2328 [PMID:17289385] |
| ChEMBL | Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells incubated for 1 hr by liquid scintillation counting method | B | 9.17 | pIC50 | 0.67 | nM | IC50 | Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182] |
| ChEMBL | Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as beta-lactamase transcriptional activation by FRET-based GeneBLAzer assay | B | 9.24 | pIC50 | 0.58 | nM | IC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Antagonist activity at ERbeta (unknown origin) by cell-based assay | B | 10.34 | pIC50 | 0.05 | nM | IC50 | Bioorg Med Chem (2014) 22: 303-310 [PMID:24315190] |
| ChEMBL | Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide recruitment after 1 hr by fluorescence polarization assay | F | 6.55 | pEC50 | 280 | nM | EC50 | J Med Chem (2011) 54: 2005-2011 [PMID:21381753] |
| ChEMBL | Agonist activity at ERbeta expressed in CHO-K1 cells by luciferase reporter gene transactivation assay | F | 7.52 | pEC50 | 30 | nM | EC50 | J Med Chem (2010) 53: 5361-5365 [PMID:20553023] |
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor beta. | B | 7.62 | pEC50 | 24 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
| ChEMBL | Agonist activity at human ERbeta expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay | F | 7.96 | pEC50 | 11 | nM | EC50 | J Med Chem (2012) 55: 2324-2341 [PMID:22283328] |
| ChEMBL | Agonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay | B | 7.96 | pEC50 | 11 | nM | EC50 | J Nat Prod (2009) 72: 1944-1948 [PMID:19863083] |
| ChEMBL | Agonist activity at human ERbeta E305A mutant expressed in HEK293T cells co-expressing ERE assessed as transactivation activity by luciferase reporter gene assay | F | 7.98 | pEC50 | 10.4 | nM | EC50 | Bioorg Med Chem Lett (2010) 20: 5258-5261 [PMID:20659801] |
| ChEMBL | In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells | F | 8.01 | pEC50 | 9.7 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 1463-1466 [PMID:15713407] |
| ChEMBL | Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysis | B | 8.25 | pEC50 | 5.6 | nM | EC50 | Bioorg Med Chem (2016) 24: 5400-5409 [PMID:27647367] |
| ChEMBL | Agonist activity at ERbeta expressed in HEK293 cells by transactivation assay | F | 8.68 | pEC50 | 2.1 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 6295-6298 [PMID:17890084] |
| ChEMBL | Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbeta | F | 8.68 | pEC50 | 2.1 | nM | EC50 | Bioorg Med Chem Lett (2006) 16: 834-838 [PMID:16309907] |
| ChEMBL | Agonist activity at human recombinant ERbeta expressed in HEK293 cells by transactivation assay | F | 8.68 | pEC50 | 2.1 | nM | EC50 | Bioorg Med Chem Lett (2007) 17: 2944-2948 [PMID:17448656] |
| ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled ERbeta ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitment of fluorescein-labelled SRC3 after 1 hr by TR-FRET assay | B | 8.82 | pEC50 | 1.5 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at human ERbeta LBD by cell based luciferase reporter gene assay | F | 8.85 | pEC50 | 1.4 | nM | EC50 | J Med Chem (2011) 54: 788-808 [PMID:21218783] |
| ChEMBL | Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay | F | 8.97 | pEC50 | 1.08 | nM | EC50 | Eur J Med Chem (2012) 54: 188-196 [PMID:22647217] |
| ChEMBL | Agonist activity at ERbeta expressed in yeast assessed as alpha-galactosidase activity | F | 8.97 | pEC50 | 1.08 | nM | EC50 | J Med Chem (2010) 53: 5361-5365 [PMID:20553023] |
| ChEMBL | Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1 | B | 8.98 | pEC50 | 1.05 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 3329-3333 [PMID:23608764] |
| ChEMBL | Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERbeta ligand binding domain expressed in Escherichia coli BL21 cells after 1 hr by TR-FRET assay | B | 9.05 | pEC50 | 0.9 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay | F | 9.08 | pEC50 | 0.84 | nM | EC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
| ChEMBL | Agonist effect on transcriptional activation of T47D cells expressing human estrogen receptor beta | F | 9.1 | pEC50 | 0.8 | nM | EC50 | J Med Chem (2002) 45: 5492-5505 [PMID:12459017] |
| ChEMBL | Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay | F | 9.14 | pEC50 | 0.72 | nM | EC50 | Eur J Med Chem (2011) 46: 2453-2462 [PMID:21481497] |
| ChEMBL | Ability to activate estrogen receptor 2-mediated transcription. | F | 9.17 | pEC50 | 0.67 | 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 at 10 uM | F | 9.23 | pEC50 | 0.59 | nM | EC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
| ChEMBL | Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter gene assay | F | 9.3 | pEC50 | 0.5 | nM | EC50 | Eur J Med Chem (2009) 44: 3412-3424 [PMID:19286283] |
| ChEMBL | Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by luciferase reporter gene assay | F | 9.34 | pEC50 | 0.46 | nM | EC50 | J Med Chem (2010) 53: 6947-6953 [PMID:20812681] |
| ChEMBL | Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay | F | 9.4 | pEC50 | 0.4 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at human ERbeta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene transfection assay | B | 9.42 | pEC50 | 0.38 | nM | EC50 | J Med Chem (2015) 58: 1184-1194 [PMID:25559213] |
| ChEMBL | Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase reporter gene assay | B | 9.43 | pEC50 | 0.37 | nM | EC50 | Bioorg Med Chem (2020) 28: 115274-115274 [PMID:31879182] |
| ChEMBL | Agonist activity at human ERbeta in human MCF7 cells assessed as otubain 2 endogenous genes activation after 24 hrs by qPCR | B | 9.52 | pEC50 | 0.3 | nM | EC50 | J Med Chem (2015) 58: 1184-1194 [PMID:25559213] |
| ChEMBL | Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay | F | 9.6 | pEC50 | 0.25 | nM | EC50 | Bioorg Med Chem Lett (2011) 21: 5680-5683 [PMID:21885279] |
| ChEMBL | Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay | B | 9.6 | pEC50 | 0.25 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assay | B | 9.6 | pEC50 | 0.25 | nM | EC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Displacement of fluormone from GST-tagged ERbeta receptor LBD (unknown origin) measured after 60 mins by TR-FRET competitive binding assay | B | 9.68 | pEC50 | 0.21 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
| ChEMBL | Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay | F | 9.7 | pEC50 | 0.2 | nM | EC50 | J Med Chem (2012) 55: 528-537 [PMID:22122563] |
| ChEMBL | Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay | B | 9.82 | pEC50 | 0.15 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | Agonist activity at full-length human estrogen receptor beta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luciferase reporter gene assay | F | 9.89 | pEC50 | 0.13 | nM | EC50 | J Med Chem (2009) 52: 858-867 [PMID:19128016] |
| ChEMBL | Agonist activity in transcriptional activation assay in SH-SY5Y neuroblastoma cells expressing Estrogen receptor beta | F | 10 | pEC50 | 0.1 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
| ChEMBL | Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30 mins at RT | B | 10.01 | pEC50 | 0.1 | nM | EC50 | J Med Chem (2005) 48: 5989-6003 [PMID:16162002] |
| ChEMBL | Agonist activity at human ERbeta expressed in HEK293 cells by luciferase reporter gene assay | B | 10.07 | pEC50 | 0.09 | nM | EC50 | Bioorg Med Chem Lett (2014) 24: 5265-5267 [PMID:25305688] |
| ChEMBL | Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta. | B | 10.15 | pEC50 | 0.07 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
| ChEMBL | Transactivation of human ERbeta expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay | B | 10.21 | pEC50 | 0.06 | nM | EC50 | J Med Chem (2010) 53: 4290-4294 [PMID:20408532] |
| ChEMBL | Agonist activity at human ERbeta receptor expressed in HEK293T cells transfected with pGL4.27-(ERE)3-Luc assessed as transcriptional activation measured after 16 hrs by Dual-Glo luciferase assay | B | 10.4 | pEC50 | 0.04 | nM | EC50 | Bioorg Med Chem (2016) 24: 5895-5910 [PMID:27692995] |
| ChEMBL | Agonist activity at ER-beta (unknown origin) transfected in HEK293T cells after 24 hrs by Steady-Glo luciferase reporter gene assay | B | 10.4 | pEC50 | 0.04 | nM | EC50 | Medchemcomm (2013) 4: 1439-1442 |
| ChEMBL | Transcriptional potency (EC50) at Human estrogen receptor Beta | B | 10.41 | pEC50 | 0.04 | nM | EC50 | J Med Chem (2001) 44: 4230-4251 [PMID:11708925] |
| ChEMBL | Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay | B | 10.44 | pEC50 | 0.04 | nM | EC50 | Eur J Med Chem (2012) 54: 188-196 [PMID:22647217] |
| 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 | 10.52 | pEC50 | 0.03 | nM | EC50 | J Nat Prod (2018) 81: 966-975 [PMID:29641206] |
| ChEMBL | Activation of human ERbeta assessed as induction of transcriptional activation by luciferase reporter gene assay | B | 10.52 | pEC50 | 0.03 | nM | EC50 | Bioorg Med Chem (2019) 27: 2075-2082 [PMID:30967304] |
| ChEMBL | Agonist activity at full length human ERbeta receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase reporter gene assay | B | 10.66 | pEC50 | 0.02 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
| ChEMBL | Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell based ERE-driven luciferase reporter gene assay | B | 10.66 | pEC50 | 0.02 | nM | EC50 | Eur J Med Chem (2018) 157: 791-804 [PMID:30144697] |
| ChEMBL | Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay | B | 10.66 | pEC50 | 0.02 | nM | EC50 | J Med Chem (2018) 61: 4720-4738 [PMID:29741891] |
| ChEMBL | Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs by luciferase reporter gene assay | B | 10.7 | pEC50 | 0.02 | nM | EC50 | Bioorg Med Chem (2019) 27: 2075-2082 [PMID:30967304] |
| ChEMBL | Activation of human ERbeta expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control | B | 11 | pEC50 | 0.01 | nM | EC50 | J Med Chem (2012) 55: 9607-9618 [PMID:23043242] |
| Estrogen receptor-β/Estrogen receptor beta in Mouse (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2995] [GtoPdb: 621] [UniProtKB: O08537] | ||||||||
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to mouse ER beta expressed in Escherichia coli | B | 8.64 | pIC50 | 2.3 | nM | IC50 | J Med Chem (2004) 47: 5021-5040 [PMID:15456246] |
| Estrogen receptor-β/Estrogen receptor beta in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3021] [GtoPdb: 621] [UniProtKB: Q62986] | ||||||||
| ChEMBL | Binding to Estrogen receptor- beta (ER beta) receptor | B | 8.7 | pIC50 | 2 | nM | IC50 | Bioorg Med Chem Lett (2002) 12: 2875-2878 [PMID:12270167] |
| ChEMBL | Inhibition of [3H]17-beta-estradiol binding to rat ER beta expressed in Escherichia coli | B | 8.77 | pIC50 | 1.7 | nM | IC50 | J Med Chem (2004) 47: 5021-5040 [PMID:15456246] |
| ChEMBL | Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter | F | 9.85 | pEC50 | 0.14 | nM | EC50 | Bioorg Med Chem Lett (2005) 15: 5562-5566 [PMID:16219463] |
| Estrogen-related receptor-α/Estrogen-related receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3429] [GtoPdb: 622] [UniProtKB: P11474] | ||||||||
| ChEMBL | Displacement of [3H]E2 from human recombinant ERalpha receptor after overnight incubation by liquid scintillation counting analysis | B | 8.22 | pIC50 | 6 | nM | IC50 | J Med Chem (2013) 56: 2779-2790 [PMID:23448346] |
| ChEMBL | Inhibition of human ERalpha | B | 8.44 | pIC50 | 3.6 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4053-4056 [PMID:17482813] |
| ChEMBL | Agonist activity at 6his-tagged ERRalpha LBD assessed as recruitment of GST-labeled coactivator Scr2 by TR-FRET assay | F | 8.23 | pEC50 | 5.9 | nM | EC50 | J Med Chem (2011) 54: 788-808 [PMID:21218783] |
| Estrogen-related receptor-β/Estrogen-related receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3751] [GtoPdb: 623] [UniProtKB: O95718] | ||||||||
| ChEMBL | Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis | B | 8.06 | pIC50 | 8.7 | nM | IC50 | J Med Chem (2013) 56: 2779-2790 [PMID:23448346] |
| ChEMBL | Inhibition of human ERbeta | B | 8.49 | pIC50 | 3.2 | nM | IC50 | Bioorg Med Chem Lett (2007) 17: 4053-4056 [PMID:17482813] |
| ChEMBL | Agonist activity at ZFP-fused ERRbeta LBD expressed in HEK293 cells by TR-FRET assay | F | 8.34 | pEC50 | 4.6 | nM | EC50 | J Med Chem (2011) 54: 788-808 [PMID:21218783] |
| Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150] | ||||||||
| ChEMBL | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | B | 4.73 | pKi | 18828 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | B | 4.38 | pIC50 | 41422 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| GPBA receptor/G-protein coupled bile acid receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5409] [GtoPdb: 37] [UniProtKB: Q8TDU6] | ||||||||
| ChEMBL | Agonist activity at human TGR5 expressed in CHO cells by luciferase assay | F | 4.42 | pEC50 | 38400 | nM | EC50 | J Med Chem (2008) 51: 1831-1841 [PMID:18307294] |
| GPER/G-protein coupled estrogen receptor 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5872] [GtoPdb: 221] [UniProtKB: Q99527] | ||||||||
| GtoPdb | - | - | 8.6 | pKd | 2.7 | nM | Kd | Endocrinology (2005) 146: 624-32 [PMID:15539556] |
| ChEMBL | Displacement of E2-Alexa633 from GFP-tagged GPR30 expressed in COS7 cells by FACS | B | 8.24 | pKi | 5.7 | nM | Ki | Nat Chem Biol (2006) 2: 207-212 [PMID:16520733] |
| ChEMBL | Inhibition of estrogen binding to GPR30 (unknown origin) | B | 8.24 | pKi | 5.7 | nM | Ki | J Med Chem (2013) 56: 7161-7176 [PMID:23672690] |
| ChEMBL | Competitive binding affinity to G-protein coupled estrogen receptor (unknown origin) expressed in COS7 cells by E2 Alexa 633 staining based fluorescence analysis | B | 8.57 | pKi | 2.7 | nM | Ki | Medchemcomm (2016) 7: 439-446 |
| ChEMBL | Agonist activity at GFP-tagged GPR30 expressed in COS7 cells assessed as half life for increase in intracellular calcium level by spectrofluorimetry | F | 9.52 | pEC50 | 0.3 | nM | EC50 | Nat Chem Biol (2006) 2: 207-212 [PMID:16520733] |
| ChEMBL | Agonist activity at GPR30 (unknown origin) by calcium mobilization assay | F | 9.52 | pEC50 | 0.3 | nM | EC50 | J Med Chem (2013) 56: 7161-7176 [PMID:23672690] |
| Progesterone receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1909044] [UniProtKB: Q690N0] | ||||||||
| ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 5.37 | pKi | 4247 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 4.49 | pIC50 | 32559 | 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 | 5.24 | pKi | 5714 | nM | Ki | DrugMatrix in vitro pharmacology data |
| ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 4.97 | pIC50 | 10755 | nM | IC50 | DrugMatrix in vitro pharmacology data |
| Organic cation transporter 1/Solute carrier family 22 member 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5685] [GtoPdb: 1019] [UniProtKB: O15245] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT1-expressing HEK293 cells | F | 5.24 | pIC50 | 5730 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743122] [GtoPdb: 1020] [UniProtKB: O15244] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT2-expressing HEK293 cells | F | 4.52 | pIC50 | >30000 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
| Organic cation transporter 2/Solute carrier family 22 member 2 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770032] [GtoPdb: 1020] [UniProtKB: Q9R0W2] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells | F | 4.07 | pIC50 | 84800 | nM | IC50 | J Biol Chem (1998) 273: 32776-32786 [PMID:9830022] |
| Organic cation transporter 3/Solute carrier family 22 member 3 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2073673] [GtoPdb: 1021] [UniProtKB: O75751] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of MPP+ uptake (MPP+: 0.25 uM) in OCT3-expressing HEK293 cells | F | 5.54 | pIC50 | 2880 | nM | IC50 | Br J Pharmacol (2002) 136: 829-836 [PMID:12110607] |
| Organic cation transporter 3/Solute carrier family 22 member 3 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1770033] [GtoPdb: 1021] [UniProtKB: O88446] | ||||||||
| ChEMBL | TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cells | F | 5.96 | pIC50 | 1100 | nM | IC50 | J Biol Chem (1998) 273: 32776-32786 [PMID:9830022] |
| 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 | 5.33 | pKi | 4700 | 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 steroid sulfatase activity of JEG-3 cells | B | 4.08 | pIC50 | 84000 | nM | IC50 | J Med Chem (2000) 43: 4465-4478 [PMID:11087571] |
| ChEMBL | Estrone sulfatase activity against homogenized human JEG-3 cells was determined by measuring the [3H]E1 obtained from [3H]E1S | B | 4.08 | pIC50 | 84000 | nM | IC50 | Bioorg Med Chem Lett (1998) 8: 1891-1896 [PMID:9873454] |
| Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278] | ||||||||
| ChEMBL | Binding affinity towards human testosterone binding globulin. | B | 7.83 | pKd | 7.83 | - | -Log Kdiss | J Med Chem (1997) 40: 3161-3172 [PMID:9379435] |
| ChEMBL | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | B | 8.83 | pKd | 1.48 | nM | Kd | J Med Chem (2008) 51: 2047-2056 [PMID:18330978] |
| ChEMBL | Displacement of [3H]DHT from human SHBG | B | 7.3 | pIC50 | 50 | nM | IC50 | J Med Chem (2006) 49: 7466-7478 [PMID:17149875] |
| Cav1.2/Voltage-gated L-type calcium channel alpha-1C subunit in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1940] [GtoPdb: 529] [UniProtKB: Q13936] | ||||||||
| ChEMBL | Inhibition of L-type calcium channel measured using 2-electrode voltage-clamp in human embryonic kidney cells heterologically expressing alpha-1C subunit | F | 4.3 | pIC50 | 50000 | nM | IC50 | J Appl Toxicol (2012) 32: 858-866 [PMID:22761000] |
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]
