Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 22' and Ligand = 'BDBM50168887'   

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
Dual specificity protein phosphatase 22 (Homo sapiens (Human))	BDBM50168887 (4-{4-Oxo-5-[1-phenyl-meth-(Z)-ylidene]-2-thioxo-th...) Show SMILES OC(=O)c1ccc(CN2C(=S)S\C(=C/c3ccccc3)C2=O)cc1 Show InChI InChI=1S/C18H13NO3S2/c20-16-15(10-12-4-2-1-3-5-12)24-18(23)19(16)11-13-6-8-14(9-7-13)17(21)22/h1-10H,11H2,(H,21,22)/b15-10-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Ceptyr Inc. Curated by ChEMBL					Assay Description Inhibition of JNK-stimulating phosphatase-1 (JSP-1)				Bioorg Med Chem Lett 15: 3374-9 (2005) Article DOI: 10.1016/j.bmcl.2005.05.034 BindingDB Entry DOI: 10.7270/Q2NG4Q4B
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