BindingDB PrimarySearch

BDBM19214 (1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2-methyl-5-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-15-carbaldehyde::Aldosterone::US10188667, Aldosterone::[3H]Aldosterone

SMILES: [H][C@@]12CC[C@H](C(=O)CO)[C@]1(C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C)C=O

InChI Key: InChIKey=PQSUYGKTWSAVDQ-ZVIOFETBSA-N

Data: 1 KI 5 IC50 2 Kd 4 EC50

PDB links: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 19214
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Corticosteroid-binding globulin (Homo sapiens)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	525	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					Assay Description Binding affinity to human CBG receptor (corticosteroid-binding globulins)				J Med Chem 47: 2732-42 (2004) Article DOI: 10.1021/jm030364c BindingDB Entry DOI: 10.7270/Q2WM1H5Q
Nippon Zoki Pharmaceutical Company Ltd. Curated by ChEMBL					More data for this Ligand-Target Pair
mineralocorticoid (RAT)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]aldosterone from Sprague-Dawley rat MR by liquid scintillation counting				Bioorg Med Chem Lett 21: 1744-7 (2011) Article DOI: 10.1016/j.bmcl.2011.01.073 BindingDB Entry DOI: 10.7270/Q2474B55
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
mineralocorticoid (RAT)	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Displacement of [3H]Aldo from mineralocorticoid receptor in Sprague-Dawley rat kidney after 2 hrs by liquid scintillation counting				Bioorg Med Chem Lett 21: 6310-3 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.08.118 BindingDB Entry DOI: 10.7270/Q2JH3MKZ
Kaken Pharmaceutical Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Testis-specific androgen-binding protein (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	4.79E+3	n/a	n/a	n/a	n/a	n/a
University of British Columbia Curated by ChEMBL					Assay Description Displacement of [3H]5alpha dihydrotestosterone from human sex hormone binding globulin				J Med Chem 51: 2047-56 (2008) Article DOI: 10.1021/jm7011485 BindingDB Entry DOI: 10.7270/Q2RX9DC2
University of British Columbia Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	3.80	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by luc...				J Nat Prod 72: 1944-8 (2009) Article DOI: 10.1021/np9004882 BindingDB Entry DOI: 10.7270/Q2R49RQR
Wyeth Research Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	9.27	n/a	n/a	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Antagonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activit...				J Med Chem 53: 6947-53 (2010) Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2
Charles University in Prague Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Androgen receptor (Rattus norvegicus (Rat))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>4.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)				J Med Chem 48: 5666-74 (2005) Article DOI: 10.1021/jm050403f BindingDB Entry DOI: 10.7270/Q2TM7CBZ
University of Basel Curated by ChEMBL					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	n/a	n/a	0.470	n/a	n/a	n/a	n/a
ALLERGAN, INC. US Patent					Assay Description Mineralocorticoid receptor (MR) activation potency was assessed using a HEK 293T cell line containing the UAS-bla reporter (UAS-bla HEK 293T CELLSENS...				US Patent US10188667 (2019) BindingDB Entry DOI: 10.7270/Q24Q7X38
ALLERGAN, INC. US Patent					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					Assay Description Binding affinity to MR (unknown origin)				J Med Chem 60: 2629-2650 (2017) Article DOI: 10.1021/acs.jmedchem.6b01065 BindingDB Entry DOI: 10.7270/Q2HD7XXB
Instituto de Qu£mica M£dica (IQM-CSIC) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.305	n/a	n/a	n/a	n/a	n/a	n/a
Marquette University Curated by ChEMBL					Assay Description Agonist activity at GAL4 DNA-binding domain fused MR (unknown origin) ligand binding domain expressed in UAS-bla H cells assessed as beta-lactamase t...				Eur J Med Chem 157: 791-804 (2018) Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7
Marquette University Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.180	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Agonist activity at human MCR expressed in HEK293 cells by luciferase reporter gene assay				Bioorg Med Chem Lett 24: 5265-7 (2014) Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ
Phenex Pharmaceuticals AG Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM19214 ((1S,2R,10S,11S,14S,15R,17S)-17-hydroxy-14-(2-hydro...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	0.338	n/a	n/a	n/a	n/a
Charles University in Prague Curated by ChEMBL					Assay Description Agonist activity at mineralocorticoid receptor-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity aft...				J Med Chem 53: 6947-53 (2010) Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2
Charles University in Prague Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)