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 = 'BDBM124220'   

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))	BDBM124220 (({2-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({6-bromo-7-...) Show SMILES OP(O)(=O)C(F)(F)c1cc2nc(CC(Cc3ccc4cc(Br)c(cc4n3)C(F)(F)P(O)(O)=O)(C(=O)c3ccccc3)n3nnc4ccccc34)ccc2cc1Br Show InChI InChI=1S/C36H25Br2F4N5O7P2/c37-27-14-21-10-12-23(43-30(21)16-25(27)35(39,40)55(49,50)51)18-34(33(48)20-6-2-1-3-7-20,47-32-9-5-4-8-29(32)45-46-47)19-24-13-11-22-15-28(38)26(17-31(22)44-24)36(41,42)56(52,53)54/h1-17H,18-19H2,(H2,49,50,51)(H2,52,53,54)	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	5	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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