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 = 'BDBM50441102'   

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))	BDBM50441102 (CHEMBL611611) Show SMILES CCCOc1c2Cc3cccc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O Show InChI InChI=1S/C35H40O10P2/c1-3-14-44-33-24-10-6-12-26(33)18-28-20-30(35(46(38,39)40)47(41,42)43)21-29(32(28)37)19-27-13-7-11-25(34(27)45-15-4-2)17-23-9-5-8-22(16-24)31(23)36/h5-13,20-21,35-37H,3-4,14-19H2,1-2H3,(H2,38,39,40)(H2,41,42,43)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Academy of Sciences of Ukraine Curated by ChEMBL					Assay Description Inhibition of TCPTP (unknown origin) assessed as p-nitrophenyl phosphate conversion to p-nitrophenol after 10 mins by spectrophotometric analysis				Bioorg Med Chem Lett 23: 5619-23 (2013) Article DOI: 10.1016/j.bmcl.2013.08.040 BindingDB Entry DOI: 10.7270/Q29Z96BF
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