Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM50335866'   

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 22 (Homo sapiens (Human))	BDBM50335866 (6-hydroxy-2-(4-methoxyphenyl)-3-(1-(4-(4-nitronaph...) Show SMILES COc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc([N+]([O-])=O)c3ccccc23)nn1)C(O)=O Show InChI InChI=1S/C32H25N5O8/c1-44-19-10-8-18(9-11-19)31-30(23-15-22(32(40)41)27(38)16-28(23)45-31)25-17-36(35-34-25)14-4-7-29(39)33-24-12-13-26(37(42)43)21-6-3-2-5-20(21)24/h2-3,5-6,8-13,15-17,38H,4,7,14H2,1H3,(H,33,39)(H,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant LyP assessed as hydrolysis of DiFMUP				J Med Chem 54: 562-71 (2011) Article DOI: 10.1021/jm101004d BindingDB Entry DOI: 10.7270/Q2N016T4
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