BDBM50230605 CHEMBL273395

SMILES: COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1OC

InChI Key: InChIKey=VGTUJCQMQQMIJH-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 = 50230605   

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 alpha chain 1/subunit beta (Homo sapiens (Human))	BDBM50230605 (CHEMBL273395) Show SMILES COc1ccnc(C[S+]([O-])c2nc3cc(OCC(F)(F)F)ccc3[nH]2)c1OC Show InChI InChI=1S/C17H16F3N3O4S/c1-25-14-5-6-21-13(15(14)26-2)8-28(24)16-22-11-4-3-10(7-12(11)23-16)27-9-17(18,19)20/h3-7H,8-9H2,1-2H3,(H,22,23)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Byk Gulden Pharmaceuticals Curated by ChEMBL					Assay Description In vitro evaluation for the inhibition of H+/K+ ATPase at pH < 3 in the gastric glands of isolated rabbit stomach.				J Med Chem 35: 1049-57 (1992) BindingDB Entry DOI: 10.7270/Q2QJ7KJH
					More data for this Ligand-Target Pair