BDBM50230292 CHEMBL139537

SMILES: COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C

InChI Key: InChIKey=IFKAPCCTIDJYLY-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 = 50230292   

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
Potassium-transporting ATPase (Sus scrofa (Pig))	BDBM50230292 (CHEMBL139537) Show SMILES COc1c(F)cnc(C[S+]([O-])c2nc3cscc3[nH]2)c1C Show InChI InChI=1S/C13H12FN3O2S2/c1-7-11(15-3-8(14)12(7)19-2)6-21(18)13-16-9-4-20-5-10(9)17-13/h3-5H,6H2,1-2H3,(H,16,17)	PDB B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	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