Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 2' and Ligand = 'BDBM50391094'   

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 2 (Homo sapiens (Human))	BDBM50391094 (CHEMBL2087672) Show SMILES CCCCOS(=O)(=O)\C=C\c1ccc(OCc2ccccc2)cc1OCCc1nc(oc1C)-c1ccccc1 Show InChI InChI=1S/C31H33NO6S/c1-3-4-19-37-39(33,34)21-18-26-15-16-28(36-23-25-11-7-5-8-12-25)22-30(26)35-20-17-29-24(2)38-31(32-29)27-13-9-6-10-14-27/h5-16,18,21-22H,3-4,17,19-20,23H2,1-2H3/b21-18+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Inhibition of human recombinant TCPTP assessed as inhibition of hydrolysis of p-nitrophenol after 10 mins by spectrophotometry				Eur J Med Chem 57: 10-20 (2012) Article DOI: 10.1016/j.ejmech.2012.09.015 BindingDB Entry DOI: 10.7270/Q2HX1DRS
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