Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine-phosphatase' and Ligand = 'BDBM50326509'   

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)	BDBM50326509 (2,2'-(4,4'-(2-(4-(4-isopropylphenoxy)phenylcarbamo...) Show SMILES CC(C)c1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C40H33NO10/c1-24(2)26-5-17-33(18-6-26)51-34-19-11-30(12-20-34)41-38(44)35-21-25(22-49-31-13-7-27(8-14-31)36(42)39(45)46)3-4-29(35)23-50-32-15-9-28(10-16-32)37(43)40(47)48/h3-21,24H,22-23H2,1-2H3,(H,41,44)(H,45,46)(H,47,48)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Brown University Curated by ChEMBL					Assay Description Inhibition of Yersinia pestis YOpH				J Med Chem 53: 6768-72 (2010) Article DOI: 10.1021/jm100528p BindingDB Entry DOI: 10.7270/Q2988777
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