BDBM50408920 CHEMBL2069058

SMILES: CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

InChI Key: InChIKey=ZGYKANRQCBGFFJ-GLARFJIISA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50408920   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium/potassium-transporting ATPase alpha-1 chain (Canis familiaris)	BDBM50408920 (CHEMBL2069058) Show SMILES CN(C)CCO\N=C\C=C\C=C\[C@H]1CC[C@]2(O)[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C Show InChI InChI=1S/C28H46N2O3/c1-26-14-12-23(31)20-22(26)9-10-25-24(26)13-15-27(2)21(11-16-28(25,27)32)8-6-5-7-17-29-33-19-18-30(3)4/h5-8,17,21-25,31-32H,9-16,18-20H2,1-4H3/b7-5+,8-6+,29-17+/t21-,22+,23-,24-,25+,26-,27+,28-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.30E+3	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
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