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 = 'BDBM50296390'   

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))	BDBM50296390 ((2S)-3-(4-{4-[(3R)-1,2-Dithiolan-3-yl]butylcarboxa...) Show SMILES CO[C@@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(O)=O |r| Show InChI InChI=1S/C18H25NO4S2/c1-23-16(18(21)22)12-13-6-8-14(9-7-13)19-17(20)5-3-2-4-15-10-11-24-25-15/h6-9,15-16H,2-5,10-12H2,1H3,(H,19,20)(H,21,22)/t15-,16+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	149	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
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