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 = 'BDBM50335869'   

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))	BDBM50335869 (6-hydroxy-3-(1-(4-oxo-4-(pyren-1-ylamino)butyl)-1H...) Show SMILES Cc1ccc(cc1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)Nc2ccc3ccc4cccc5ccc2c3c45)nn1)C(O)=O Show InChI InChI=1S/C38H28N4O5/c1-21-7-9-25(10-8-21)37-36(28-18-27(38(45)46)31(43)19-32(28)47-37)30-20-42(41-40-30)17-3-6-33(44)39-29-16-14-24-12-11-22-4-2-5-23-13-15-26(29)35(24)34(22)23/h2,4-5,7-16,18-20,43H,3,6,17H2,1H3,(H,39,44)(H,45,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	480	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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