Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM50402651'   

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))	BDBM50402651 (CHEMBL2206752) Show SMILES Oc1ccc(C=C2SC(NCCCCCNC3=NC(=O)C(S3)=Cc3ccc(O)cc3)=NC2=O)cc1 |w:5.4,22.23,c:31,t:16| Show InChI InChI=1S/C25H24N4O4S2/c30-18-8-4-16(5-9-18)14-20-22(32)28-24(34-20)26-12-2-1-3-13-27-25-29-23(33)21(35-25)15-17-6-10-19(31)11-7-17/h4-11,14-15,30-31H,1-3,12-13H2,(H,26,28,32)(H,27,29,33)	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	7.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris Descartes Curated by ChEMBL					Assay Description Inhibition of VHR using fluorescein 3,6 diphosphate as substrate measured for 1 hr in presence of 1 mM dithiothreitol				Bioorg Med Chem Lett 22: 7345-50 (2012) Article DOI: 10.1016/j.bmcl.2012.10.072 BindingDB Entry DOI: 10.7270/Q2J67J38
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