BDBM46355 DIGOXIN::MLS000069819::SMR000059217::US10668094, Compound Digoxin::cid_2724385

SMILES C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C

InChI Key InChIKey=LTMHDMANZUZIPE-PUGKRICDSA-N

Data  8 KI  26 IC50  1 Kd

PDB links: 4 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 46355   

TargetSolute carrier organic anion transporter family member 1A4(Rattus norvegicus)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  37nMAssay Description:TP_TRANSPORTER: inhibition of E217betaG uptake in Oatp2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetSodium/potassium-transporting ATPase subunit alpha-2/beta-3(Homo sapiens (Human))
Yeda Research And Development

US Patent
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  42.8nMAssay Description:To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-2/beta-1(Homo sapiens (Human))
Weizmann Institute Of Science

LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  55nMAssay Description:Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-2/beta-2(Homo sapiens (Human))
Yeda Research And Development

US Patent
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  58nMAssay Description:To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-2/beta-1(Homo sapiens (Human))
Weizmann Institute Of Science

LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  58.7nMAssay Description:To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-1/beta-1(Homo sapiens (Human))
Weizmann Institute Of Science

LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  189nMAssay Description:Inhibition of Na,K-ATPase activity of the detergent-soluble α1β1, α2β1, and α3β1 complexes by CGs was done exactly as d...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-1/beta-1(Homo sapiens (Human))
Weizmann Institute Of Science

LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  268nMAssay Description:To screen for isoform selectivity of the digoxin derivatives we compared inhibition of Na,K-ATPase activity of purified detergent-soluble human isofo...More data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1A4(Rattus norvegicus)
The University Of Tokyo

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKi:  580nMAssay Description:TP_TRANSPORTER: inhibition of Taurocholate uptake in Oatp2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/potassium-transporting ATPase subunit alpha-1(Canis familiaris)
Prassis Istituto Di Ricerche Sigma-Tau

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  500nMAssay Description:Inhibition of Na+/K+ ATPase from dog kidneyMore data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-1(Canis familiaris)
Prassis Istituto Di Ricerche Sigma-Tau

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  500nMAssay Description:In vitro inhibitory concentration against dog kidney Na+,K+-ATPaseMore data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein using calcein-AM assay transfected in porcine PBCECMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Mus musculus (Mouse))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1a expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, human L-MDR1 expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of human cytochrome P450 3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank

TargetATP-dependent translocase ABCB1(Mus musculus)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of P-glycoprotein, mouse L-mdr1b expressed in LLC-PK1 epithelial cells using calcein-AM polarisation assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  2.00E+3nMAssay Description:Antagonist activity at transactivation domain of RORgammat (unknown origin) expressed in Drosophila Schneider cells co-expressing Gal4-DNA binding do...More data for this Ligand-Target Pair
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Calcein-AM efflux in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  2.64E+5nMAssay Description:Inhibition of human BSEP expressed in baculovirus transfected fall armyworm Sf21 cell membranes vesicles assessed as reduction in ATP-dependent [3H]-...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium/potassium-transporting ATPase subunit alpha-4/beta-1(Rattus norvegicus)
University Of Minnesota

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  5.5nMAssay Description:Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...More data for this Ligand-Target Pair
TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  190nMAssay Description:Ten-point DRCs were generated for each drug. Vero cells were seeded at 1.2 × 104 cells per well in DMEM, supplemented with 2% FBS and 1× ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  8.54E+4nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  3.36E+4nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  7.01E+3nMAssay Description:Competitive inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) ass...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  2.31E+3nMAssay Description:Orthosteric inverse agonist activity at recombinant human N-terminal His6-tagged RORgammat ligand binding domain (265 to 518 residues) expressed in E...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >1.00E+4nMAssay Description:Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-o-tolylbenzamide-ligated recombinant human N-terminal His6-tagged RORgammat ligand binding...More data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >1.00E+4nMAssay Description:Orthosteric inverse agonist activity at 2-chloro-N-(2,6-dimethylphenyl)-5-nitrobenzamide-ligated recombinant human N-terminal His6-tagged RORgammat l...More data for this Ligand-Target Pair
TargetSodium/potassium-transporting ATPase subunit alpha-1(Homo sapiens (Human))
Universidade Federal De S£O Jo£O Del Rei

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  290nMAssay Description:Inhibition of human kidney Na(+)/K(+) ATPase alpha-1 assessed as amount of Pi release after 1 hr by colorimetric methodMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  1.98E+3nMAssay Description:Inhibition of thymus-specific isoform RORgamma (unknown origin) transcriptional activity by luciferase-based cotransfection assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  4.10E+3nMAssay Description:Displacement of fluorescein-labelled 25-HC from human RoRgamma-LBD by competitive binding assayMore data for this Ligand-Target Pair
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataKd:  109nMAssay Description:Displacement of [3H]25-hydroxycholesterol from human RORc-LBD expressed in bacterial expression system after 3 hrs by scintillation counting analysisMore data for this Ligand-Target Pair
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  3.24E+3nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B1-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B3(Homo sapiens (Human))
Ku Leuven

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  1.32E+4nMAssay Description:pIC50 values for sodium fluorescein (10 uM) uptake in OATP1B3-transfected CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
New York University School Of Medicine

Curated by ChEMBL
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >1.00E+4nMAssay Description:Orthosteric inverse agonist activity at 2-chloro-5-nitro-N-(2-(trifluoromethyl)phenyl)benzamide-ligated recombinant human N-terminal His6-tagged RORg...More data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 3 [702-738,740-752](Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50:  1.86E+3nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSignal transducer and activator of transcription 1-alpha/beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46355(DIGOXIN | MLS000069819 | SMR000059217 | US10668094...)
Affinity DataIC50: >5.57E+4nMAssay Description:Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay