BDBM50228080 2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate::2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate::2',15'-dimethyl-5,5'-dioxospiro[tetrahydrofuran-2,14'-tetracyclo[8.7.0.02,7.011,15]heptadec-6'-ene]-9-yl ethanethioate(Spiranolactone)::Aldactone::CHEMBL1393::S-(2'R,7R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,5'-dioxo-1,2,3,4',5',6,7,8,9,10,11,12,13,14,15,16-hexadecahydro-3'H-spiro[cyclopenta[a]phenanthrene-17,2'-furan]-7-yl ethanethioate::SPIRONOLACTONE::Spiranolactone::cid_5833

SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12

InChI Key InChIKey=LXMSZDCAJNLERA-ZHYRCANASA-N

Data  6 KI  34 IC50  4 EC50

PDB links: 5 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50228080   

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi:  2.32nMAssay Description:Binding affinity to human mineralocorticoid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi:  5nMAssay Description:Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi:  32.6nMAssay Description:Binding affinity to human glucocorticoid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi:  39.4nMAssay Description:Binding affinity to human androgen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi:  400nMAssay Description:Binding affinity to human progesterone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetEstrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataKi: >1.10E+3nMAssay Description:Binding affinity to human estrogen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at progesterone receptor beta (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetCystic fibrosis transmembrane conductance regulator(Human)
Southern Research Institute

Curated by PubChem BioAssay
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataEC50: >5.00E+4nMMore data for this Ligand-Target Pair
In DepthDetails PCBioAssay

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  1.40E+3nMAssay Description:Displacement of [3H]-Dexamethasone from glucocorticoid receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  60nMAssay Description:Antagonist activity at human mineralocorticoid receptor expressed in COS1 cells after 1 day by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  49nMAssay Description:Displacement of [3H]aldosterone from human mineralocorticoid receptor expressed in 293 cells after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  120nMAssay Description:Displacement of [3H]testosterone from androgen receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  650nMAssay Description:Displacement of [[3H]-Progesterone from progesterone receptor (unknown origin) expressed in 293 cells after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  670nMAssay Description:Antagonist activity at human androgen receptor expressed in CHOK1 cells assessed as inhibition of D(-)-norgestrel-induced protein interaction with st...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetEstrogen receptor beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50: >2.00E+4nMAssay Description:Antagonist activity at human estrogen receptor beta assessed as inhibition of agonist-induced protein interaction with steroid receptor co-activator ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  650nMAssay Description:Displacement of [3H]progestrone from PRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  60nMAssay Description:Antagonist activity at human MR transfected in human COS1 cells after 1 day by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  120nMAssay Description:Displacement of [3H]testosterone from ARMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  1.40E+3nMAssay Description:Displacement of [3H]dexomethasone from GRMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  49nMAssay Description:Displacement of [3H]aldosterone from cytosolic human MR expressed in HEK293 cells after 16 hrs by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetATP-dependent translocase ABCB1(Human)
Schering-Plough Research Institute

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  2.36E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMultidrug and toxin extrusion protein 1(Human)
University of California

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  1.86E+4nMAssay Description:Inhibition of human MATE1-mediated ASP+ uptake expressed in HEK293 cells after 1.5 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  1.60nMAssay Description:Antagonist activity at mineralocorticoid receptor ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Rat)
University of Basel

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  676nMAssay Description:Inhibitory concentration against recombinant rat androgen receptor expressed in Escherichia coli using [3H]methyltrienolone (R 1881)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  13nMAssay Description:Antagonist activity at Gal4-tagged mineralocorticoid receptor expressed in human Huh7 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  523nMAssay Description:Antagonist activity at androgen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  6.92E+3nMAssay Description:Antagonist activity at glucocorticoid receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at progesterone receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetEstrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  5.70E+3nMAssay Description:Antagonist activity at estrogen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  50nMAssay Description:Antagonist activity at gal4-fused human mineralocorticoid receptor LBD expressed in UAS-MR-bla HEK293 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human full-length MCR assessed as inhibition of receptor binding to co-activator peptide by PathHunter assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetEstrogen receptor beta(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50: >1.00E+5nMAssay Description:Displacement of [3H]-estradiol from recombinant full-length human estrogen beta receptor expressed in baculovirus infected insect cells incubated ove...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  9.60nMAssay Description:Displacement of [3H]-aldosterone from recombinant human mineralocorticoid receptor expressed in baculovirus infected insect cells incubated overnight...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  48nMAssay Description:Displacement of [3H]-methyltrienolene from human androgen receptor incubated overnight by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  76nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) transfected in PC-3 cells assessed as inhibition of aldosterone-stimulated transcr...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  6.05E+3nMAssay Description:Displacement of [3H]-dexamethasone from recombinant full length human glucocorticoid receptor expressed in baculovirus infected insect cells incubate...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetProgesterone receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  4.00E+3nMAssay Description:Antagonist activity at progesterone receptor beta (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  11nMAssay Description:Antagonist activity at human mineralocorticoid receptor assessed as inhibition of binding to coactivator peptide by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at glucocorticoid receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetGlucocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  4.10E+3nMAssay Description:Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetMineralocorticoid receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  8.70nMAssay Description:Antagonist activity at human wild-type mineralocorticoid receptor expressed in CHO-K1 cells assessed as inhibition of aldosterone-induced transcripti...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank
MMDB
PDB3D3D Structure (crystal)

TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataIC50:  670nMAssay Description:Antagonist activity at androgen receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank


TargetAndrogen receptor(Human)
Eli Lilly

Curated by ChEMBL
LigandPNGBDBM50228080(2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...)
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at androgen receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank