Click here for a description of the charts and data table
Please tell us if you are using this feature and what you think!
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) |
---|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
There should be some charts here, you may need to enable JavaScript!
|
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 | 4.03 | 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] |
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 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]