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
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50228080   

TargetProgesterone receptor(Homo sapiens (Human))
Merck Research Laboratories

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

TargetMineralocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

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
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

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(Homo sapiens (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(Homo sapiens (Human))
Merck Research Laboratories

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(Homo sapiens (Human))
Merck Research Laboratories

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
TargetGlucocorticoid receptor(Homo sapiens (Human))
Merck Research Laboratories

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(Homo sapiens (Human))
Merck Research Laboratories

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

TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

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(Homo sapiens (Human))
Merck Research Laboratories

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