Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50296376'   

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 (Homo sapiens (Human))	BDBM50296376 ((3S)-7-[4-(2,2-Dimethyl-1,3-dithiolan-4-yl)butylca...) Show SMILES CC1(C)SCC(CCCCC(=O)Nc2ccc3C[C@H](OCc3c2)C(O)=O)S1 |r| Show InChI InChI=1S/C20H27NO4S2/c1-20(2)26-12-16(27-20)5-3-4-6-18(22)21-15-8-7-13-10-17(19(23)24)25-11-14(13)9-15/h7-9,16-17H,3-6,10-12H2,1-2H3,(H,21,22)(H,23,24)/t16?,17-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Glenmark Research Center Curated by ChEMBL					Assay Description Inhibition of PTP1B				Eur J Med Chem 44: 3147-57 (2009) Article DOI: 10.1016/j.ejmech.2009.03.009 BindingDB Entry DOI: 10.7270/Q2FJ2GTG
					More data for this Ligand-Target Pair