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 = 'BDBM124219'   

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))	BDBM124219 (({2-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...) Show SMILES NS(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3n2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1Br Show InChI InChI=1S/C33H24Br2F4N5O5PS/c34-25-14-19(10-13-23(25)33(38,39)51(40)49)17-31(30(45)20-6-2-1-3-7-20,44-29-9-5-4-8-27(29)42-43-44)18-22-12-11-21-15-26(35)24(16-28(21)41-22)32(36,37)50(46,47)48/h1-16H,17-18,40H2,(H2,46,47,48)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Zydus Research Centre					Assay Description The in vitro enzyme inhibitory activity was evaluated by using the pNPP assay. Para-nitrophenylphosphate (pNPP) and test compounds were added to assa...				ChemMedChem 6: 1011-6 (2011) Article DOI: 10.1002/cmdc.201100077 BindingDB Entry DOI: 10.7270/Q2XW4HGZ
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