Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase 1' and Ligand = 'BDBM50219479'   

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 1 (Saccharomyces cerevisiae)	BDBM50219479 (3,3'-dicarboxy-2,2'-dihydroxy-5,5'-diphenyldipheny...) Show SMILES OC(=O)c1cc(cc(Cc2cc(cc(C(O)=O)c2O)-c2ccccc2)c1O)-c1ccccc1 Show InChI InChI=1S/C27H20O6/c28-24-20(11-18(14-22(24)26(30)31)16-7-3-1-4-8-16)13-21-12-19(17-9-5-2-6-10-17)15-23(25(21)29)27(32)33/h1-12,14-15,28-29H,13H2,(H,30,31)(H,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Inha University Curated by ChEMBL					Assay Description Inhibition of yeast PTP1				Bioorg Med Chem 15: 6535-48 (2007) Article DOI: 10.1016/j.bmc.2007.07.010 BindingDB Entry DOI: 10.7270/Q2GM871J
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