BDBM50188783 CHEMBL213226::ammonium N-{4-[3-(3-methoxyphenyl)-2,2-bis(3-methyl-1,2,4-oxadiazol-5-yl)propyl]phenyl}sulfamate

SMILES: COc1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(c2nc(C)no2)c2nc(C)no2)c1

InChI Key: InChIKey=JXTHGRKXHFNQMY-UHFFFAOYSA-M

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 = 50188783   

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
Receptor-type tyrosine-protein phosphatase beta (PTPβ) (Homo sapiens (Human))	BDBM50188783 (CHEMBL213226 | ammonium N-{4-[3-(3-methoxyphenyl)-...) Show SMILES COc1cccc(CC(Cc2ccc(NS([O-])(=O)=O)cc2)(c2nc(C)no2)c2nc(C)no2)c1 Show InChI InChI=1S/C22H23N5O6S/c1-14-23-20(32-25-14)22(21-24-15(2)26-33-21,13-17-5-4-6-19(11-17)31-3)12-16-7-9-18(10-8-16)27-34(28,29)30/h4-11,27H,12-13H2,1-3H3,(H,28,29,30)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of HPTPbeta				Bioorg Med Chem Lett 16: 4252-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.074 BindingDB Entry DOI: 10.7270/Q2D50MK4
					More data for this Ligand-Target Pair