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

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 = 50000237   

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
Na/K-ATPase (Sus scrofa (Pig))	BDBM50000237 (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	PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2ZG6R5R
					More data for this Ligand-Target Pair