spironolactone [Ligand Id: 2875] activity data from GtoPdb and ChEMBL

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ChEMBL ligand: CHEMBL1393 (Spiroctan 25, Spirospare 25, Abbolactone, Gx spironol, Spiretic, SC-9420, Diatensec, Spironolactone, Aldactone, Carospir, NSC-150399, Laractone, Spiroctan 100, Spiroctan 50, Spirospare 100)
  • Androgen receptor/Androgen Receptor in Human [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
  • Androgen receptor/Androgen Receptor in Rat [ChEMBL: CHEMBL3072] [GtoPdb: 628] [UniProtKB: P15207]
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  • Estrogen receptor-α/Estrogen receptor alpha in Human [ChEMBL: CHEMBL206] [GtoPdb: 620] [UniProtKB: P03372]
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  • Estrogen receptor-β/Estrogen receptor beta in Human [ChEMBL: CHEMBL242] [GtoPdb: 621] [UniProtKB: Q92731]
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  • Multidrug and toxin extrusion/Multidrug and toxin extrusion protein 1 in Human [ChEMBL: CHEMBL1743126] [GtoPdb: 1216] [UniProtKB: Q96FL8]
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DB Assay description Assay Type Standard value Standard parameter Original value Original units Original parameter Reference
Androgen receptor/Androgen Receptor in Human (target type: SINGLE PROTEIN) [ChEMBL: CHEMBL1871] [GtoPdb: 628] [UniProtKB: P10275]
ChEMBL Binding affinity 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 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 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 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 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 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 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 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 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 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 28:

Gaulton A, Hersey A, Nowotka M, Bento AP, Chambers J, Mendez D, Mutowo P, Atkinson F, Bellis LJ, CibriƔn-Uhalte E, Davies M, Dedman N, Karlsson A, MagariƱos MP, Overington JP, Papadatos G, Smit I, Leach AR. (2017) 'The ChEMBL database in 2017.' Nucleic Acids Res., 45(D1). DOI: 10.1093/nar/gkw1074. [PMCID:5210557]