BindingDB PrimarySearch

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: 3 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 66977
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Bcl-2-like protein 11 (Homo sapiens (Human))	BDBM66977 (3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.50E+5	n/a	n/a	n/a	n/a
Broad Institute Curated by PubChem BioAssay					Assay Description Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q24J0CKJ
Broad Institute Curated by PubChem BioAssay					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain (Canis familiaris)	BDBM66977 (3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description In vitro inhibitory concentration against dog kidney Na+,K+-ATPase				J Med Chem 43: 2332-49 (2000) BindingDB Entry DOI: 10.7270/Q2KP82VV
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium/potassium-transporting ATPase alpha-1 chain (Canis familiaris)	BDBM66977 (3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description Inhibition of Na+/K+ ATPase from dog kidney				J Med Chem 40: 3484-8 (1997) Article DOI: 10.1021/jm970312l BindingDB Entry DOI: 10.7270/Q2SF2WVZ
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium-transporting ATPase alpha chain 2 (Homo sapiens (Human))	BDBM66977 (3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					Assay Description Compound was evaluated for its ability to inhibit the specific [3H]-ouabain binding to dog kidney Na+/K+ ATPase				J Med Chem 41: 3033-40 (1998) Article DOI: 10.1021/jm980108d BindingDB Entry DOI: 10.7270/Q2VX0H6K
Prassis Istituto di Ricerche Sigma-Tau Curated by ChEMBL					More data for this Ligand-Target Pair