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 = 'BDBM50335870'   

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))	BDBM50335870 (6-Hydroxy-3-(1-(4-(6-methoxybenzo[d]thiazol-2-ylam...) Show SMILES COc1ccc2nc(NC(=O)CCCn3cc(nn3)-c3c(oc4cc(O)c(cc34)C(O)=O)-c3cccc(C)c3)sc2c1 Show InChI InChI=1S/C30H25N5O6S/c1-16-5-3-6-17(11-16)28-27(20-13-19(29(38)39)23(36)14-24(20)41-28)22-15-35(34-33-22)10-4-7-26(37)32-30-31-21-9-8-18(40-2)12-25(21)42-30/h3,5-6,8-9,11-15,36H,4,7,10H2,1-2H3,(H,38,39)(H,31,32,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	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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