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 = 'BDBM124208'   

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))	BDBM124208 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({4-[difluor...) Show SMILES OP(O)(=O)C(F)(F)c1ccc(CC(Cc2ccc3cc(Br)c(cc3c2)C(F)(F)P(O)(O)=O)(C(=O)c2ccccc2)n2nnc3ccccc23)cc1 Show InChI InChI=1S/C34H26BrF4N3O7P2/c35-28-18-24-13-10-22(16-25(24)17-27(28)34(38,39)51(47,48)49)20-32(31(43)23-6-2-1-3-7-23,42-30-9-5-4-8-29(30)40-41-42)19-21-11-14-26(15-12-21)33(36,37)50(44,45)46/h1-18H,19-20H2,(H2,44,45,46)(H2,47,48,49)	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	46	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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