BDBM50000186 2-[3-Methoxy-4-(2,2,3,3,4,4,5,5-octafluoro-pentyloxy)-pyridin-2-ylmethanesulfinyl]-3H-thieno[3,4-d]imidazole::CHEMBL139433

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

InChI Key: InChIKey=PPULCXVMSZXWGI-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 = 50000186   

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))	BDBM50000186 (2-[3-Methoxy-4-(2,2,3,3,4,4,5,5-octafluoro-pentylo...) Show SMILES COc1c(OCC(F)(F)C(F)(F)C(F)(F)C(F)F)ccnc1CS(=O)c1nc2cscc2[nH]1 Show InChI InChI=1S/C17H13F8N3O3S2/c1-30-12-10(6-33(29)14-27-8-4-32-5-9(8)28-14)26-3-2-11(12)31-7-15(20,21)17(24,25)16(22,23)13(18)19/h2-5,13H,6-7H2,1H3,(H,27,28)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	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