BDBM46356 DIGITOXIN::MLS000069787::SMR000058529::US10668094, Compound Digitoxin::cid_441207

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

InChI Key InChIKey=WDJUZGPOPHTGOT-XUDUSOBPSA-N

Data  4 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 46356   

TargetSodium/potassium-transporting ATPase subunit alpha-2/beta-3(Homo sapiens (Human))
Yeda Research And Development

US Patent
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataKi:  28.8nMAssay 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))
Yeda Research And Development

US Patent
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataKi:  29.5nMAssay 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-2(Homo sapiens (Human))
Yeda Research And Development

US Patent
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataKi:  40.7nMAssay 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))
Yeda Research And Development

US Patent
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataKi:  89nMAssay 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
TargetATP-binding cassette sub-family C member 2(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP2 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-binding cassette sub-family C member 4(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 4C1(Homo sapiens)
Tohoku University

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50:  120nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin uptake in OATP4C1-expressing MDCK cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50:  3.10E+4nMAssay Description:Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetReplicase polyprotein 1ab(2019-nCoV)
Institut Pasteur Korea

LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50:  230nMAssay 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
TargetBile salt export pump(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50: <1.00E+4nMAssay 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-1(Canis familiaris)
University Of Manitoba

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50:  8nMAssay Description:Inhibition of [3H]ouabain binding to Digitalis receptor in dog heart microsomesMore data for this Ligand-Target Pair
TargetSignal transducer and activator of transcription 1-alpha/beta(Homo sapiens (Human))
The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
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
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
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50:  700nMAssay 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
TargetATP-binding cassette sub-family C member 3(Homo sapiens (Human))
Amgen

Curated by ChEMBL
LigandPNGBDBM46356(DIGITOXIN | MLS000069787 | SMR000058529 | US106680...)
Affinity DataIC50: >1.33E+5nMAssay Description:Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed