BindingDB logo
myBDB logout

BDBM50255110 CHEMBL4063601

SMILES: [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@H](Cn3cc(nn3)-c3ccc(OC)cc3)CC[C@]21O

InChI Key: InChIKey=WCQGFTXTJLDTRZ-WQEODSLYSA-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 = 50255110   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
N+/K+ ATPase alpha-4/beta-1


(Rattus norvegicus)		BDBM50255110
PNG
(CHEMBL4063601)
Show SMILES [H][C@@]12CC[C@]3(O)C[C@@H](O)C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@@H](Cn3cc(nn3)-c3ccc(OC)cc3)CC[C@]21O |r|
Show InChI InChI=1S/C29H41N3O7/c1-26-13-23(35)25-21(8-9-27(37)12-19(34)11-24(36)28(25,27)16-33)29(26,38)10-7-18(26)14-32-15-22(30-31-32)17-3-5-20(39-2)6-4-17/h3-6,15,18-19,21,23-25,33-38H,7-14,16H2,1-2H3/t18-,19+,21-,23-,24-,25-,26-,27+,28-,29+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Department of Medicinal Chemistry and Institute for Therapeutics Discovery and Development, College of Pharmacy , University of Minnesota , Minneapolis , Minnesota 55414 , United States.

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Na+/K+-ATPase alpha4/beta1 expressed in baculovirus infected insect Sf9 cell membranes using [gamma-32P]ATP as substrat...

J Med Chem 61: 1800-1820 (2018)


Article DOI: 10.1021/acs.jmedchem.7b00925
BindingDB Entry DOI: 10.7270/Q2T43WJH
More data for this
Ligand-Target Pair