Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1 [1-298]' and Ligand = 'BDBM13453'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Tyrosine-protein phosphatase non-receptor type 1 [1-298] (Homo sapiens (Human))	BDBM13453 (N-[(3S)-2-[3-(4-methoxyphenyl)propanoyl]-3-(methyl...) Show SMILES CNC(=O)[C@@H]1Cc2ccc(NS(O)(=O)=O)cc2CN1C(=O)CCc1ccc(OC)cc1 |r| Show InChI InChI=1S/C21H25N3O6S/c1-22-21(26)19-12-15-6-7-17(23-31(27,28)29)11-16(15)13-24(19)20(25)10-5-14-3-8-18(30-2)9-4-14/h3-4,6-9,11,19,23H,5,10,12-13H2,1-2H3,(H,22,26)(H,27,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.42E+5	n/a	n/a	n/a	n/a	n/a	n/a
Procter & Gamble Pharmaceuticals					Assay Description The activity of PTP1B enzyme was assayed with DiFMUP as substrate. Hydrolysis of substrate was monitored on a Victor V plate reader (Wallac). Kinetic...				Bioorg Med Chem Lett 16: 1574-8 (2006) Article DOI: 10.1016/j.bmcl.2005.12.051 BindingDB Entry DOI: 10.7270/Q2PN93WP
					More data for this Ligand-Target Pair				3D Structure (docked)