BDBM50408914 CHEMBL2068977

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]2CCC=O

InChI Key: InChIKey=SFXNZLSNYWSHPW-MMPLWAHZSA-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 = 50408914   

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)	BDBM50408914 (CHEMBL2068977) Show 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]2CCC=O Show InChI InChI=1S/C22H36O3/c1-20-10-8-17(24)14-16(20)5-6-19-18(20)9-11-21(2)15(4-3-13-23)7-12-22(19,21)25/h13,15-19,24-25H,3-12,14H2,1-2H3/t15-,16+,17-,18-,19+,20-,21+,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.00E+4	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
					More data for this Ligand-Target Pair