Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dual specificity protein phosphatase 3' and Ligand = 'BDBM50336849'   

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))	BDBM50336849 (CHEMBL1672296 | ethyl 7-methyl-3-oxo-5-(thiophen-2...) Show SMILES CCOC(=O)C1=C(C)N=c2s\c(=C/c3cc(OC)c(OC)c(OC)c3)c(=O)n2C1c1cccs1 |c:5,t:8| Show InChI InChI=1S/C24H24N2O6S2/c1-6-32-23(28)19-13(2)25-24-26(20(19)17-8-7-9-33-17)22(27)18(34-24)12-14-10-15(29-3)21(31-5)16(11-14)30-4/h7-12,20H,6H2,1-5H3/b18-12-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sanford-Burnham Medical Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant VHR expressed in Escherichia coli				ACS Med Chem Lett 2: 113-118 (2011) Article DOI: 10.1021/ml100103p BindingDB Entry DOI: 10.7270/Q2319WWQ
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