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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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 46355   

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