Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine-phosphatase' and Ligand = 'BDBM50317073'   

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
Protein-tyrosine-phosphatase (Yersinia pestis)	BDBM50317073 (16-(4-(benzyloxy)phenyl)-3,14-dioxa-2,15-diazahexa...) Show SMILES OC(=O)c1cc(\C=N\OCCCCCCCCCCO\N=C\c2ccc(OCc3ccccc3)cc2)ccc1O Show InChI InChI=1S/C32H38N2O6/c35-31-19-16-28(22-30(31)32(36)37)24-34-40-21-11-6-4-2-1-3-5-10-20-39-33-23-26-14-17-29(18-15-26)38-25-27-12-8-7-9-13-27/h7-9,12-19,22-24,35H,1-6,10-11,20-21,25H2,(H,36,37)/b33-23+,34-24+	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Cancer Institute Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YopH after 15 mins by pNPP hydrolysis assay				Bioorg Med Chem Lett 20: 2813-6 (2010) Article DOI: 10.1016/j.bmcl.2010.03.058 BindingDB Entry DOI: 10.7270/Q2319W2Z
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