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 = 'BDBM50335877'   

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))	BDBM50335877 (3-(1-(4-(benzylamino)-4-oxobutyl)-1H-1,2,3-triazol...) Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)NCc4ccccc4)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C28H24N4O5/c33-23-15-24-21(14-20(23)28(35)36)26(27(37-24)19-10-5-2-6-11-19)22-17-32(31-30-22)13-7-12-25(34)29-16-18-8-3-1-4-9-18/h1-6,8-11,14-15,17,33H,7,12-13,16H2,(H,29,34)(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	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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