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 = 'BDBM50335876'   

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))	BDBM50335876 (3-(1-(4-(4-bromonaphthalen-1-ylamino)-4-oxobutyl)-...) Show SMILES OC(=O)c1cc2c(-c3cn(CCCC(=O)Nc4ccc(Br)c5ccccc45)nn3)c(oc2cc1O)-c1ccccc1 Show InChI InChI=1S/C31H23BrN4O5/c32-23-12-13-24(20-10-5-4-9-19(20)23)33-28(38)11-6-14-36-17-25(34-35-36)29-22-15-21(31(39)40)26(37)16-27(22)41-30(29)18-7-2-1-3-8-18/h1-5,7-10,12-13,15-17,37H,6,11,14H2,(H,33,38)(H,39,40)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	710	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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