BDBM66977 3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,14-bis(oxidanyl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one::3-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one::Digitoxigenin::MLS002153810::SMR001233182::cid_4369270

SMILES C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@@H]2C1=CC(=O)OC1

InChI Key InChIKey=XZTUSOXSLKTKJQ-CESUGQOBSA-N

Data  3 IC50  1 EC50

PDB links: 4 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66977   

TargetBcl-2-like protein 11(Homo sapiens (Human))
Broad Institute

Curated by PubChem BioAssay
LigandPNGBDBM66977(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Affinity DataEC50: >3.50E+5nMAssay Description:Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...More data for this Ligand-Target Pair
In DepthDetails PCBioAssay
TargetSodium/potassium-transporting ATPase subunit alpha-1(Canis familiaris)
Prassis Istituto Di Ricerche Sigma-Tau

Curated by ChEMBL
LigandPNGBDBM66977(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Affinity DataIC50:  500nMAssay Description:In vitro inhibitory concentration against dog kidney Na+,K+-ATPaseMore 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
LigandPNGBDBM66977(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Affinity DataIC50:  500nMAssay Description:Inhibition of Na+/K+ ATPase from dog kidneyMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium-transporting ATPase alpha chain 2(Homo sapiens (Human))
Prassis Istituto Di Ricerche Sigma-Tau

Curated by ChEMBL
LigandPNGBDBM66977(3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...)
Affinity DataIC50:  80nMAssay Description:Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed