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BDBM50000237 2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methoxy-pyridin-2-ylmethanesulfinyl]-3H-thieno[3,4-d]imidazole::CHEMBL344250

SMILES: COc1c(OCC(F)(F)C(F)(F)C(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1

InChI Key: InChIKey=ZDHBYDSUAVXLFD-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50000237   
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
Na/K-ATPase


(Sus scrofa (Pig))
BDBM50000237
PNG
(2-[4-(2,2,3,3,4,4,4-Heptafluoro-butoxy)-3-methoxy-...)
Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1
Show InChI InChI=1S/C16H12F7N3O3S2/c1-28-12-10(6-31(27)13-25-8-4-30-5-9(8)26-13)24-3-2-11(12)29-7-14(17,18)15(19,20)16(21,22)23/h2-5H,6-7H2,1H3,(H,25,26)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/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