Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 1' and Ligand = 'BDBM50267086'   

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 1 (Mus musculus)	BDBM50267086 (Adociaquinone B | CHEMBL476648) Show SMILES C[C@@]12CCCc3coc(c13)C(=O)c1cc3C(=O)C4=NCCS(=O)(=O)C4C(=O)c3cc21 |r,t:19| Show InChI InChI=1S/C22H17NO6S/c1-22-4-2-3-10-9-29-20(15(10)22)18(25)13-7-11-12(8-14(13)22)19(26)21-16(17(11)24)23-5-6-30(21,27)28/h7-9,21H,2-6H2,1H3/t21?,22-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Polytechnic Institute and State University Curated by ChEMBL					Assay Description Inhibition of histidine-tagged mouse MKP1 catalytic domain expressed in human Hela cells				Bioorg Med Chem 17: 2276-81 (2009) Article DOI: 10.1016/j.bmc.2008.10.090 BindingDB Entry DOI: 10.7270/Q21J99MN
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