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 = 'BDBM50379830'   

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))	BDBM50379830 (CHEMBL2011700) Show SMILES OC(=O)c1ccc(CN2C(=O)\C(S\C2=N/c2ccc(cc2)C(F)(F)F)=C\c2cccc(OCc3ccccc3)c2)cc1 Show InChI InChI=1S/C32H23F3N2O4S/c33-32(34,35)25-13-15-26(16-14-25)36-31-37(19-21-9-11-24(12-10-21)30(39)40)29(38)28(42-31)18-23-7-4-8-27(17-23)41-20-22-5-2-1-3-6-22/h1-18H,19-20H2,(H,39,40)/b28-18-,36-31-	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
University of Messina Curated by ChEMBL					Assay Description Competitive inhibition of human recombinant TCPTP using p-nitrophenylphosphate as substrate by Line-Weaver Burk plot				Eur J Med Chem 50: 332-43 (2012) Article DOI: 10.1016/j.ejmech.2012.02.012 BindingDB Entry DOI: 10.7270/Q2DN461B
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