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 = 'BDBM124209'   

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))	BDBM124209 (({7-[2-(1H-1,2,3-benzotriazol-1-yl)-2-({3-bromo-4-...) 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)cc1Br Show InChI InChI=1S/C34H25Br2F4N3O7P2/c35-27-15-21(11-13-25(27)33(37,38)51(45,46)47)19-32(31(44)22-6-2-1-3-7-22,43-30-9-5-4-8-29(30)41-42-43)18-20-10-12-23-17-28(36)26(16-24(23)14-20)34(39,40)52(48,49)50/h1-17H,18-19H2,(H2,45,46,47)(H2,48,49,50)	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	20	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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