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ChEMBL ligand: CHEMBL1393 (Abbolactone, Aldactone, Carospir, Diatensec, Gx spironol, Laractone, NSC-150399, SC-9420, Spiretic, Spiroctan 100, Spiroctan 25, Spiroctan 50, Spironolactone, Spironolactone ceva, Spironolactonum, Spirospare 100, Spirospare 25, Verospirone) |
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DB | Assay description | Assay Type | Standard value | Standard parameter | Original value | Original units | Original parameter | Reference |
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Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275] | ||||||||
ChEMBL | Binding affinity to human androgen receptor | B | 7.4 | pKi | 39.4 | nM | Ki | J Med Chem (2007) 50: 6443-6445 [PMID:18038968] |
ChEMBL | Antagonist activity at androgen receptor (unknown origin) by NH Pro assay | B | 6.17 | pIC50 | 670 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with steroid receptor co-activator peptide after 24 hrs by beta-galactosidase reporter gene assay | B | 6.17 | pIC50 | 670 | nM | IC50 | ACS Med Chem Lett (2015) 6: 461-465 [PMID:25941555] |
ChEMBL | Antagonist activity at androgen receptor | F | 6.28 | pIC50 | 523 | nM | IC50 | J Med Chem (2010) 53: 5979-6002 [PMID:20672822] |
ChEMBL | Displacement of [3H]testosterone from AR | B | 6.92 | pIC50 | 120 | nM | IC50 | J Med Chem (2011) 54: 8616-8631 [PMID:22074142] |
ChEMBL | Displacement of [3H]testosterone from androgen receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting | B | 6.92 | pIC50 | 120 | nM | IC50 | Bioorg Med Chem (2014) 22: 5428-5445 [PMID:25187277] |
ChEMBL | Displacement of [3H]-methyltrienolene from human androgen receptor incubated overnight by liquid scintillation counting analysis | B | 7.32 | pIC50 | 48 | nM | IC50 | J Med Chem (2022) 65: 8127-8143 [PMID:35652647] |
ChEMBL | Agonist activity at androgen receptor (unknown origin) by NH Pro assay | B | 4.7 | pEC50 | >20000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
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 | 7.04 | pKi | 90.6 | 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 | 6.17 | pIC50 | 676.08 | nM | IC50 | J Med Chem (2005) 48: 5666-5674 [PMID:16134935] |
ChEMBL | DRUGMATRIX: Androgen (Testosterone) AR radioligand binding (ligand: [3H] Mibolerone) | B | 6.87 | pIC50 | 135.9 | nM | IC50 | DrugMatrix in vitro pharmacology data |
CYP2C19/Cytochrome P450 2C19 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL3622] [GtoPdb: 1328] [UniProtKB: P33261] | ||||||||
ChEMBL | DRUGMATRIX: CYP450, 2C19 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) | B | 5.52 | pIC50 | 3000 | 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 human estrogen receptor | B | 5.96 | pKi | >1100 | nM | Ki | J Med Chem (2007) 50: 6443-6445 [PMID:18038968] |
ChEMBL | Antagonist activity at estrogen receptor alpha (unknown origin) by NH Pro assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | Antagonist activity at estrogen receptor | F | 5.24 | pIC50 | 5702 | nM | IC50 | J Med Chem (2010) 53: 5979-6002 [PMID:20672822] |
ChEMBL | Agonist activity at estrogen receptor alpha (unknown origin) by NH Pro assay | B | 4.7 | pEC50 | >20000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
Estrogen receptor-β/Estrogen receptor beta in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731] | ||||||||
ChEMBL | Displacement of [3H]-estradiol from recombinant full-length human estrogen beta receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis | B | 4 | pIC50 | >100000 | nM | IC50 | J Med Chem (2022) 65: 8127-8143 [PMID:35652647] |
ChEMBL | Antagonist activity at estrogen receptor beta (unknown origin) by NH Pro assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator peptide by cell-based reporter gene assay | B | 4.7 | pIC50 | >20000 | nM | IC50 | ACS Med Chem Lett (2015) 6: 461-465 [PMID:25941555] |
ChEMBL | Agonist activity at estrogen receptor beta (unknown origin) by NH Pro assay | B | 5.48 | pEC50 | 3300 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
Glucocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL2034] [GtoPdb: 625] [UniProtKB: P04150] | ||||||||
ChEMBL | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | B | 6.06 | pKi | 864.8 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | Binding affinity to human glucocorticoid receptor | B | 7.49 | pKi | 32.6 | nM | Ki | J Med Chem (2007) 50: 6443-6445 [PMID:18038968] |
ChEMBL | Antagonist activity at glucocorticoid receptor | F | 5.16 | pIC50 | 6920 | nM | IC50 | J Med Chem (2010) 53: 5979-6002 [PMID:20672822] |
ChEMBL | Displacement of [3H]-dexamethasone from recombinant full length human glucocorticoid receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis | B | 5.22 | pIC50 | 6050 | nM | IC50 | J Med Chem (2022) 65: 8127-8143 [PMID:35652647] |
ChEMBL | Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay | B | 5.39 | pIC50 | 4100 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | DRUGMATRIX: Glucocorticoid radioligand binding (ligand: [3H] Dexamethasone) | B | 5.72 | pIC50 | 1902.5 | nM | IC50 | DrugMatrix in vitro pharmacology data |
ChEMBL | Displacement of [3H]dexomethasone from GR | B | 5.85 | pIC50 | 1400 | nM | IC50 | J Med Chem (2011) 54: 8616-8631 [PMID:22074142] |
ChEMBL | Agonist activity at glucocorticoid receptor (unknown origin) by NH Pro assay | B | 4.7 | pEC50 | >20000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
Mineralocorticoid receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1994] [GtoPdb: 626] [UniProtKB: P08235] | ||||||||
ChEMBL | Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assay | B | 8.3 | pKi | 5.01 | nM | Ki | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
GtoPdb | - | - | 8.63 | pKi | 2.32 | nM | Ki | J Med Chem (2007) 50: 6443-5 [PMID:18038968] |
ChEMBL | Binding affinity to human mineralocorticoid receptor | B | 8.63 | pKi | 2.32 | nM | Ki | J Med Chem (2007) 50: 6443-6445 [PMID:18038968] |
ChEMBL | Antagonist activity at mineralocorticoid receptor (unknown origin) transfected in PC-3 cells assessed as inhibition of aldosterone-stimulated transcriptional activity after 3 days by dual luciferase reporter assay | B | 7.12 | pIC50 | 76 | nM | IC50 | J Med Chem (2022) 65: 13074-13093 [PMID:36154033] |
ChEMBL | Antagonist activity at human MR transfected in human COS1 cells after 1 day by luciferase reporter gene assay | F | 7.22 | pIC50 | 60 | nM | IC50 | J Med Chem (2011) 54: 8616-8631 [PMID:22074142] |
ChEMBL | Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assay | B | 7.22 | pIC50 | 60 | nM | IC50 | Bioorg Med Chem (2014) 22: 5428-5445 [PMID:25187277] |
ChEMBL | Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assay | B | 7.3 | pIC50 | 50.12 | nM | IC50 | J Med Chem (2019) 62: 1385-1406 [PMID:30596500] |
ChEMBL | Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation counting | B | 7.31 | pIC50 | 49 | nM | IC50 | Bioorg Med Chem (2014) 22: 5428-5445 [PMID:25187277] |
ChEMBL | Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation counting | B | 7.31 | pIC50 | 49 | nM | IC50 | J Med Chem (2011) 54: 8616-8631 [PMID:22074142] |
ChEMBL | Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assay | F | 7.89 | pIC50 | 13 | nM | IC50 | J Med Chem (2010) 53: 5979-6002 [PMID:20672822] |
ChEMBL | Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assay | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2014) 24: 1681-1684 [PMID:24630411] |
ChEMBL | Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assay | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assay | B | 7.96 | pIC50 | 11 | nM | IC50 | Bioorg Med Chem Lett (2016) 26: 2866-2869 [PMID:27161805] |
ChEMBL | Displacement of [3H]-aldosterone from recombinant human mineralocorticoid receptor expressed in baculovirus infected insect cells incubated overnight by liquid scintillation counting analysis | B | 8.02 | pIC50 | 9.62 | nM | IC50 | J Med Chem (2022) 65: 8127-8143 [PMID:35652647] |
ChEMBL | Antagonist activity at human wild-type mineralocorticoid receptor expressed in CHO-K1 cells assessed as inhibition of aldosterone-induced transcriptional activity incubated for 24 hrs in presence of 1 nM aldosterone by Steady-Glo reagent based reporter gene assay | B | 8.06 | pIC50 | 8.7 | nM | IC50 | J Med Chem (2022) 65: 8127-8143 [PMID:35652647] |
ChEMBL | Antagonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luciferase reporter gene assay | B | 8.8 | pIC50 | 1.6 | nM | IC50 | J Nat Prod (2009) 72: 1944-1948 [PMID:19863083] |
Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8] | ||||||||
ChEMBL | Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assay | B | 4.73 | pIC50 | 18600 | nM | IC50 | J Med Chem (2013) 56: 781-795 [PMID:23241029] |
ABCB1/P-glycoprotein 1 in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL4302] [GtoPdb: 768] [UniProtKB: P08183] | ||||||||
ChEMBL | TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cells | F | 4.63 | pIC50 | 23600 | nM | IC50 | Chem Res Toxicol (2001) 14: 1596-1603 [PMID:11743742] |
Plasmodium falciparum (target type: ORGANISM) [ChEMBL: CHEMBL364] | ||||||||
ChEMBL | Antiplasmodial activity against Plasmodium falciparum 3D7 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 HB3 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 7G8 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
ChEMBL | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | F | 5 | pIC50 | 10000 | 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 | 5 | pIC50 | 10000 | nM | IC50 | Nat Chem Biol (2009) 5: 765-771 [PMID:19734910] |
Progesterone receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL208] [GtoPdb: 627] [UniProtKB: P06401] | ||||||||
ChEMBL | Binding affinity to human progesterone receptor | B | 6.4 | pKi | 399.7 | nM | Ki | J Med Chem (2007) 50: 6443-6445 [PMID:18038968] |
ChEMBL | Antagonist activity at progesterone receptor | F | 5 | pIC50 | >10000 | nM | IC50 | J Med Chem (2010) 53: 5979-6002 [PMID:20672822] |
ChEMBL | Antagonist activity at progesterone receptor beta (unknown origin) by NH Pro assay | B | 5.4 | pIC50 | 4000 | nM | IC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
ChEMBL | Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting | B | 5.85 | pIC50 | 1400 | nM | IC50 | Bioorg Med Chem (2014) 22: 5428-5445 [PMID:25187277] |
ChEMBL | Displacement of [3H]progesterone from PR | B | 6.19 | pIC50 | 650 | nM | IC50 | J Med Chem (2011) 54: 8616-8631 [PMID:22074142] |
ChEMBL | Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation counting | B | 6.19 | pIC50 | 650 | nM | IC50 | Bioorg Med Chem (2014) 22: 5428-5445 [PMID:25187277] |
ChEMBL | Agonist activity at progesterone receptor beta (unknown origin) by NH Pro assay | B | 4.7 | pEC50 | >20000 | nM | EC50 | Bioorg Med Chem Lett (2013) 23: 4388-4392 [PMID:23777778] |
Progesterone receptor in Bovine (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1909044] [UniProtKB: Q690N0] | ||||||||
ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 6.66 | pKi | 217.2 | nM | Ki | DrugMatrix in vitro pharmacology data |
ChEMBL | DRUGMATRIX: Progesterone radioligand binding (ligand: [3H] R-5020) | B | 5.78 | pIC50 | 1665.4 | nM | IC50 | DrugMatrix in vitro pharmacology data |
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]