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ChEMBL ligand: CHEMBL1405 (1,3,5-estratrien-3-ol-17-one, Estradiol metabolite e1, Estrogenic substance, Estrone, Follicular hormone, Follicular-hormone, Folliculin, Folliculinum, Ketohydroxyestrin, Natural estrogenic substance-estrone, NSC-9699, Oestrone, Theelin, Thelykinin, Tokokin, WAY 164397) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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synuclein alpha/Alpha-synuclein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL6152] [GtoPdb: 3285] [UniProtKB: P37840] | ||||||||
ChEMBL | Inhibition of alpha-synuclein aggregation (unknown origin) incubated for 8 days by thioflavin S based fluorescence assay | B | 4.03 | pIC50 | 93100 | nM | IC50 | Eur J Med Chem (2019) 167: 10-36 [PMID:30743095] |
Androgen receptor/Androgen Receptor in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207] | ||||||||
ChEMBL | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | B | 5.11 | pKi | 7745 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | B | 4.93 | pIC50 | 11617 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Arachidonate 15-lipoxygenase in Rabbit (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4358] [UniProtKB: P12530] | ||||||||
ChEMBL | DRUGMATRIX: Lipoxygenase 15-LO enzyme inhibition (substrate: Linoleic acid) | B | 5.18 | pIC50 | 6589 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ABCG2/ATP-binding cassette sub-family G member 2 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL5393] [GtoPdb: 792] [UniProtKB: Q9UNQ0] | ||||||||
ChEMBL | TP_TRANSPORTER: drug resistance(SN-38) in BCRP-expressing K562 cells | F | 5 | pIC50 | >10000 | nM | IC50 | Mol Cancer Ther (2003) 2: 105-112 [PMID:12533678] |
ChEMBL | TP_TRANSPORTER: drug resistance(Mitoxantrone) in BCRP-expressing K562 cells | F | 5.52 | pIC50 | 3000 | nM | IC50 | Mol Cancer Ther (2003) 2: 105-112 [PMID:12533678] |
Corticosteroid binding globulin in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2421] [UniProtKB: P08185] | ||||||||
ChEMBL | In silico binding affinity to human corticosteriod binding globulin | B | 4 | pKd | 4 | - | -Log Kdiss | J Med Chem (1997) 40: 3161-3172 [PMID:9379435] |
ChEMBL | Binding affinity to human CBG receptor (corticosteroid-binding globulins) | B | 5 | pKi | 10000 | nM | Ki | J Med Chem (2004) 47: 2732-2742 [PMID:15139751] |
CYP19A1/Cytochrome P450 19A1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1978] [GtoPdb: 1362] [UniProtKB: P11511] | ||||||||
ChEMBL | Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD | B | 5.6 | pKi | 2500 | nM | Ki | Eur J Med Chem (2015) 105: 1-38 [PMID:26469743] |
ChEMBL | Inhibition of aromatase in human placental microsomes using [1beta-3H]AD as substrate incubated for 20 mins in presence of NADPH | B | 4.58 | pIC50 | 26001.6 | nM | IC50 | Eur J Med Chem (2020) 208: 112845-112845 [PMID:33017749] |
CYP1B1/Cytochrome P450 1B1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4878] [GtoPdb: 1320] [UniProtKB: Q16678] | ||||||||
ChEMBL | Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45 mins in presence of NADPH by fluorescence assay | B | 4.3 | pIC50 | >50000 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 5272-5276 [PMID:27687674] |
Estradiol 17-beta-dehydrogenase 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3181] [UniProtKB: P14061] | ||||||||
ChEMBL | Inhibition of human estradiol 17beta-dehydrogenase | B | 5.02 | pKi | 9500 | nM | Ki | J Med Chem (2011) 54: 2529-2591 [PMID:21413808] |
ChEMBL | Inhibition of 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+ | B | 8.52 | pKi | 3 | nM | Ki | Eur J Med Chem (2008) 43: 2298-2306 [PMID:18372081] |
ChEMBL | Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol using NADH | B | 6.09 | pIC50 | 810 | nM | IC50 | Eur J Med Chem (2008) 43: 2298-2306 [PMID:18372081] |
ChEMBL | Inhibition of 17beta-HSD1 expressed in HEK 293 cells assessed as conversion of [14C]estrone to [14C]estradiol | B | 6.22 | pIC50 | 600 | nM | IC50 | Eur J Med Chem (2008) 43: 2298-2306 [PMID:18372081] |
ChEMBL | Inhibition of 17-beta HSD1 in T47D cells | F | 6.48 | pIC50 | 330 | nM | IC50 | J Med Chem (2006) 49: 1325-1345 [PMID:16480268] |
ChEMBL | Inhibition of 17beta-HSD1 in human T47D cells assessed as inhibition of transformation of [14C]-estrone into [14C]estrogen | B | 6.66 | pIC50 | 218 | nM | IC50 | Bioorg Med Chem (2008) 16: 1849-1860 [PMID:18035543] |
ChEMBL | Inhibition of His-tagged human 17beta-HSD1 expressed in Escherichia coli by scintillation counting | B | 6.96 | pIC50 | 109 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 6740-6744 [PMID:19836949] |
Estrogen receptor-α/Estrogen receptor alpha in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372] | ||||||||
GtoPdb | - | - | 8.5 | pKi | - | - | - | Endocrinology (1997) 138: 863-70 [PMID:9048584] |
ChEMBL | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | B | 8.66 | pKi | 2.19 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Binding affinity towards estrogen receptor alpha by [3H]17-beta-estradiol displacement. | B | 6.68 | pIC50 | 210 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
ChEMBL | Displacement of [3H]17beta-estradiol from human ERalpha expressed in SF9 cells | B | 7.02 | pIC50 | 96 | nM | IC50 | Bioorg Med Chem Lett (2009) 19: 6740-6744 [PMID:19836949] |
ChEMBL | Displacement of [3H]estrone from ER alpha | B | 7.54 | pIC50 | 29 | nM | IC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
ChEMBL | DRUGMATRIX: Estrogen ERalpha radioligand binding (ligand: [3H] Estradiol) | B | 8.12 | pIC50 | 7.65 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor alpha. | B | 6.32 | pEC50 | 480 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
ChEMBL | Ability to activate estrogen receptor 1-mediated transcription. | F | 6.92 | pEC50 | 120 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
ChEMBL | Antagonist activity at full length human ERalpha receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell based luciferase reporter gene assay | B | 7.3 | pEC50 | >50 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
ChEMBL | Activity at human recombinant ERalpha by fluorescence polarization assay | B | 8.15 | pEC50 | 7 | nM | EC50 | J Med Chem (2009) 52: 6660-6671 [PMID:19824648] |
ChEMBL | 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 | 8.62 | pEC50 | 2.4 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
ChEMBL | Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor alpha. | B | 9.15 | pEC50 | 0.7 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] | ||||||||
GtoPdb | - | - | 7.93 | pKi | - | - | - | Endocrinology (1997) 138: 863-70 [PMID:9048584] |
ChEMBL | Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. | B | 6.27 | pIC50 | 540 | nM | IC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
ChEMBL | Displacement of [3H]estrone from ER beta | B | 7.51 | pIC50 | 31 | nM | IC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
ChEMBL | Inhibition of [3H]17-beta-estradiol binding to human recombinant Estrogen receptor beta. | B | 5.95 | pEC50 | 1135 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
ChEMBL | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay at 10 uM | F | 6.78 | pEC50 | 166 | nM | EC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
ChEMBL | Ability to activate estrogen receptor 2-mediated transcription. | F | 6.92 | pEC50 | 120 | nM | EC50 | Bioorg Med Chem Lett (2004) 14: 2327-2330 [PMID:15081034] |
ChEMBL | Inhibition of ER beta-mediated transactivation of ERE in HeLa cell luciferase assay | F | 7.59 | pEC50 | 26 | nM | EC50 | J Med Chem (2006) 49: 2440-2455 [PMID:16610787] |
ChEMBL | Antagonist activity at full length human ERbeta receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell based luciferase reporter gene assay | B | 8 | pEC50 | >10 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
ChEMBL | Activity at human recombinant ERbeta by fluorescence polarization assay | B | 8.1 | pEC50 | 8 | nM | EC50 | J Med Chem (2009) 52: 6660-6671 [PMID:19824648] |
ChEMBL | Activation of estrogen response element in HeLa cells stably transfected with human Estrogen receptor beta. | B | 8.68 | pEC50 | 2.1 | nM | EC50 | J Med Chem (2002) 45: 1399-1401 [PMID:11906280] |
ChEMBL | Displacement of fluormone from GST-tagged ERbeta receptor LBD (unknown origin) measured after 60 mins by TR-FRET competitive binding assay | B | 9.03 | pEC50 | 0.94 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
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 | 9.3 | pEC50 | 0.5 | nM | EC50 | Bioorg Med Chem (2020) 28: 115670-115670 [PMID:32912438] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | F | 4.9 | pIC50 | 12589.25 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | F | 5.1 | pIC50 | 7943.28 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | F | 5.2 | pIC50 | 6309.57 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | F | 5.4 | pIC50 | 3981.07 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
Progesterone receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1909044] [UniProtKB: Q690N0] | ||||||||
ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 5.68 | pKi | 2100 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 4.79 | pIC50 | 16098 | nM | IC50 | DrugMatrix in vitro pharmacology data |
5-HT2B receptor/Serotonin 2b (5-HT2b) receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1833] [GtoPdb: 7] [UniProtKB: P41595] | ||||||||
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 5.06 | pKi | 8676 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Serotonin (5-Hydroxytryptamine) 5-HT2B radioligand binding (ligand: [3H] Lysergic acid diethylamide) | B | 4.87 | pIC50 | 13630 | nM | IC50 | DrugMatrix in vitro pharmacology data |
SERT/Serotonin transporter in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL228] [GtoPdb: 928] [UniProtKB: P31645] | ||||||||
ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 5.55 | pKi | 2816 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Transporter, Serotonin (5-Hydroxytryptamine) (SERT) radioligand binding (ligand: [3H] Paroxetine) | B | 5.28 | pIC50 | 5301 | nM | IC50 | DrugMatrix in vitro pharmacology data |
Solute carrier organic anion transporter family member 1A1 in Rat (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1781859] [UniProtKB: P46720] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp1-expressing HeLa cells | F | 4.8 | pKi | 15700 | nM | Ki | Am J Physiol (1996) 270: F326-F331 [PMID:8779894] |
Steryl-sulfatase in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3559] [UniProtKB: P08842] | ||||||||
ChEMBL | Inhibition of human steroid sulfatase using 4-methylumbelliferyl sulfate substrate after 10 mins by fluorescence assay | B | 4.29 | pIC50 | 51000 | nM | IC50 | Bioorg Med Chem (2011) 19: 5999-6005 [PMID:21925885] |
Testis-specific androgen-binding protein in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3305] [UniProtKB: P04278] | ||||||||
ChEMBL | Binding affinity towards human testosterone binding globulin. | B | 7.18 | pKd | 7.18 | - | -Log Kdiss | J Med Chem (1997) 40: 3161-3172 [PMID:9379435] |
ChEMBL | Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin | B | 8.18 | pKd | 6.61 | nM | Kd | J Med Chem (2008) 51: 2047-2056 [PMID:18330978] |
ChEMBL data shown on this page come from version 34:
Zdrazil B, Felix E, Hunter F, Manners EJ, Blackshaw J, Corbett S, de Veij M, Ioannidis H, Lopez DM, Mosquera JF, Magarinos MP, Bosc N, Arcila R, Kizilören T, Gaulton A, Bento AP, Adasme MF, Monecke P, Landrum GA, Leach AR. (2024). The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods. Nucleic Acids Res., 52(D1). DOI: 10.1093/nar/gkad1004. [EPMCID:10767899] [PMID:37933841]
Davies M, Nowotka M, Papadatos G, Dedman N, Gaulton A, Atkinson F, Bellis L, Overington JP. (2015) 'ChEMBL web services: streamlining access to drug discovery data and utilities.' Nucleic Acids Res., 43(W1). DOI: 10.1093/nar/gkv352. [EPMCID:25883136]