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
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 44 hits for monomerid = 50228080
Affinity DataKi: 2.32nMAssay Description:Binding affinity to human mineralocorticoid receptorMore data for this Ligand-Target Pair
3D Structure (crystal)Affinity DataKi: 5nMAssay Description:Displacement of [3H]-aldosterone to human mineralocorticoid receptor LBD by radiometric binding assayMore data for this Ligand-Target Pair
Affinity DataKi: 32.6nMAssay Description:Binding affinity to human glucocorticoid receptorMore data for this Ligand-Target Pair
Affinity DataKi: 39.4nMAssay Description:Binding affinity to human androgen receptorMore data for this Ligand-Target Pair
Affinity DataKi: 400nMAssay Description:Binding affinity to human progesterone receptorMore data for this Ligand-Target Pair
Affinity DataKi: >1.10E+3nMAssay Description:Binding affinity to human estrogen receptorMore data for this Ligand-Target Pair
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at progesterone receptor beta (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
TargetCystic fibrosis transmembrane conductance regulator(Homo sapiens (Human))
Southern Research Institute
Curated by PubChem BioAssay
Southern Research Institute
Curated by PubChem BioAssay
Affinity DataIC50: 11nMAssay Description:Antagonist activity at mineralocorticoid receptor (unknown origin) by PathHunter assayMore data for this Ligand-Target Pair
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
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
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
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
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
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
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
Affinity DataIC50: 650nMAssay Description:Displacement of [3H]progestrone from PRMore data for this Ligand-Target Pair
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
Affinity DataIC50: 120nMAssay Description:Displacement of [3H]testosterone from ARMore data for this Ligand-Target Pair
Affinity DataIC50: 1.40E+3nMAssay Description:Displacement of [3H]dexomethasone from GRMore data for this Ligand-Target Pair
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
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Schering-Plough Research Institute
Curated by ChEMBL
Schering-Plough Research Institute
Curated by ChEMBL
Affinity DataIC50: 2.36E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin efflux in NIH-3T3-G185 cellsMore data for this Ligand-Target Pair
TargetMultidrug and toxin extrusion protein 1(Homo sapiens (Human))
University Of California
Curated by ChEMBL
University Of California
Curated by ChEMBL
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
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
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
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
Affinity DataIC50: 523nMAssay Description:Antagonist activity at androgen receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 6.92E+3nMAssay Description:Antagonist activity at glucocorticoid receptorMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Antagonist activity at progesterone receptorMore data for this Ligand-Target Pair
Affinity DataIC50: 5.70E+3nMAssay Description:Antagonist activity at estrogen receptorMore data for this Ligand-Target Pair
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
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
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
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
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
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
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
Affinity DataIC50: 4.00E+3nMAssay Description:Antagonist activity at progesterone receptor beta (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
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
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at glucocorticoid receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
Affinity DataIC50: 4.10E+3nMAssay Description:Antagonist activity at glucocorticoid receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
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
Affinity DataIC50: 670nMAssay Description:Antagonist activity at androgen receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair
Affinity DataEC50: >2.00E+4nMAssay Description:Agonist activity at androgen receptor (unknown origin) by NH Pro assayMore data for this Ligand-Target Pair