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 = 'BDBM124211'   

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))	BDBM124211 (({7-[2-({4-[(aminosulfinyl)difluoromethyl]-3-bromo...) Show SMILES NS(=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/C34H25Br2F4N4O5PS/c35-27-15-21(11-13-25(27)34(39,40)51(41)49)19-32(31(45)22-6-2-1-3-7-22,44-30-9-5-4-8-29(30)42-43-44)18-20-10-12-23-17-28(36)26(16-24(23)14-20)33(37,38)50(46,47)48/h1-17H,18-19,41H2,(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	19	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
					More data for this Ligand-Target Pair