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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 | 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 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 | 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 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]