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 = 'BDBM50335875'   

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))	BDBM50335875 (3-(1-(4-(benzylamino)-4-oxobutyl)-1H-1,2,3-triazol...) Show SMILES Cc1cccc(c1)-c1oc2cc(O)c(cc2c1-c1cn(CCCC(=O)NCc2ccccc2)nn1)C(O)=O Show InChI InChI=1S/C29H26N4O5/c1-18-7-5-10-20(13-18)28-27(22-14-21(29(36)37)24(34)15-25(22)38-28)23-17-33(32-31-23)12-6-11-26(35)30-16-19-8-3-2-4-9-19/h2-5,7-10,13-15,17,34H,6,11-12,16H2,1H3,(H,30,35)(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	650	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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