Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM50292293'   

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 3 (Homo sapiens (Human))	BDBM50292293 (4-(5-((4-hydroxy-3-(methoxycarbonyl)phenyl)amino)-...) Show SMILES COC(=O)c1cc(NC(=O)CCCC(=O)NC2CC(C)(C)N([O])C(C)(C)C2)ccc1O |^1:22| Show InChI InChI=1S/C22H32N3O6/c1-21(2)12-15(13-22(3,4)25(21)30)24-19(28)8-6-7-18(27)23-14-9-10-17(26)16(11-14)20(29)31-5/h9-11,15,26H,6-8,12-13H2,1-5H3,(H,23,27)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Institute for Medical Research Curated by ChEMBL					Assay Description Inhibition of VHR				J Med Chem 50: 2137-43 (2007) Article DOI: 10.1021/jm061481l BindingDB Entry DOI: 10.7270/Q2BG2NP4
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