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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Na/K-ATPase' and Ligand = 'BDBM50000227'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000227
PNG
(2-[4-(4-Fluoro-benzyloxy)-pyridin-2-ylmethanesulfi...)
Show SMILES Fc1ccc(COc2ccnc(CS(=O)c3nc4cscc4[nH]3)c2)cc1
Show InChI InChI=1S/C18H14FN3O2S2/c19-13-3-1-12(2-4-13)8-24-15-5-6-20-14(7-15)11-26(23)18-21-16-9-25-10-17(16)22-18/h1-7,9-10H,8,11H2,(H,21,22)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 500n/an/an/an/an/an/a



Hoechst AG

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration against H+/K+ ATPase from pig stomach by probit analysis


J Med Chem 35: 438-50 (1992)


Article DOI: 10.1021/jm00081a004
BindingDB Entry DOI: 10.7270/Q2ZG6R5R
More data for this
Ligand-Target Pair