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 = 'BDBM50391116'   

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))	BDBM50391116 (CHEMBL2087697) Show SMILES CCOS(=O)(=O)\C=C\c1ccc(OCCCCNc2nc(cs2)-c2ccccc2F)cc1 Show InChI InChI=1S/C23H25FN2O4S2/c1-2-30-32(27,28)16-13-18-9-11-19(12-10-18)29-15-6-5-14-25-23-26-22(17-31-23)20-7-3-4-8-21(20)24/h3-4,7-13,16-17H,2,5-6,14-15H2,1H3,(H,25,26)/b16-13+	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	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant PTP1B assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry				Eur J Med Chem 57: 10-20 (2012) Article DOI: 10.1016/j.ejmech.2012.09.015 BindingDB Entry DOI: 10.7270/Q2HX1DRS
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