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 = 'BDBM50118761'   

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))	BDBM50118761 (6-(2-Naphthalen-1-yl-ethyl)-2-(oxalyl-amino)-4,5,6...) Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3cccc4ccccc34)CCc2c1C(O)=O Show InChI InChI=1S/C22H20N2O5S/c25-19(22(28)29)23-20-18(21(26)27)16-9-11-24(12-17(16)30-20)10-8-14-6-3-5-13-4-1-2-7-15(13)14/h1-7H,8-12H2,(H,23,25)(H,26,27)(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novo Nordisk A/S Curated by ChEMBL					Assay Description Inhibition of human recombinant Protein-tyrosine phosphatase 1B.				J Med Chem 45: 4443-59 (2002) BindingDB Entry DOI: 10.7270/Q2QJ7GM5
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