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 = 'BDBM50441104'   

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))	BDBM50441104 (CHEMBL2430578) Show SMILES CCCOc1c2Cc3cc(cc(Cc4cccc(Cc5cc(cc(Cc1ccc2)c5O)C(O)(P(O)(O)=O)P(O)(O)=O)c4OCCC)c3O)C(O)(P(O)(O)=O)P(O)(O)=O Show InChI InChI=1S/C36H44O18P4/c1-3-11-53-33-21-7-5-8-22(33)14-26-18-30(36(40,57(47,48)49)58(50,51)52)20-28(32(26)38)16-24-10-6-9-23(34(24)54-12-4-2)15-27-19-29(17-25(13-21)31(27)37)35(39,55(41,42)43)56(44,45)46/h5-10,17-20,37-40H,3-4,11-16H2,1-2H3,(H2,41,42,43)(H2,44,45,46)(H2,47,48,49)(H2,50,51,52)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+4	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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