Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50069952'   

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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM50069952 (CHEMBL108327 | Sodium; 9-fluoro-5,5-dioxo-3-phenyl...) Show SMILES [O-]C(=O)c1c2CS(=O)(=O)c3cc(ccc3-c2nc2ccc(F)cc12)-c1ccccc1 Show InChI InChI=1S/C23H14FNO4S/c24-15-7-9-19-17(11-15)21(23(26)27)18-12-30(28,29)20-10-14(13-4-2-1-3-5-13)6-8-16(20)22(18)25-19/h1-11H,12H2,(H,26,27)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	139	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibition of human recombinant dihydroorotate dehydrogenase (DHODase)				Bioorg Med Chem Lett 8: 307-12 (1999) BindingDB Entry DOI: 10.7270/Q21C1W19
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