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 3 hits for monomerid = 46355   

TargetNuclear receptor ROR-gamma(Homo sapiens (Human))
Technische Universiteit Eindhoven

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))
Technische Universiteit Eindhoven

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))
Technische Universiteit Eindhoven

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