Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Mitochondrial peptide methionine sulfoxide reductase' and Ligand = 'BDBM65998'   

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
Mitochondrial peptide methionine sulfoxide reductase (Bos taurus)	BDBM65998 (5-nitro-2-thiophenecarboxylic acid [2-(4-tert-buty...) Show SMILES CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccc(s2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C17H18N2O5S/c1-17(2,3)11-4-6-12(7-5-11)18-14(20)10-24-16(21)13-8-9-15(25-13)19(22)23/h4-9H,10H2,1-3H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	5.47E+4	n/a	n/a	n/a	n/a
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay					Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center (SRIMSC) Affiliation: The Scripps Research Institute, TSRI Assa...				PubChem Bioassay (2012) BindingDB Entry DOI: 10.7270/Q2BZ64NT
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