Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Protein-tyrosine-phosphatase' and Ligand = 'BDBM50326503'   

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)	BDBM50326503 (2,2'-(4,4'-(2-(4-(p-tolyloxy)phenylcarbamoyl)-1,4-...) Show SMILES Cc1ccc(Oc2ccc(NC(=O)c3cc(COc4ccc(cc4)C(=O)C(O)=O)ccc3COc3ccc(cc3)C(=O)C(O)=O)cc2)cc1 Show InChI InChI=1S/C38H29NO10/c1-23-2-12-31(13-3-23)49-32-18-10-28(11-19-32)39-36(42)33-20-24(21-47-29-14-6-25(7-15-29)34(40)37(43)44)4-5-27(33)22-48-30-16-8-26(9-17-30)35(41)38(45)46/h2-20H,21-22H2,1H3,(H,39,42)(H,43,44)(H,45,46)	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	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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