Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50069946'   

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))	BDBM50069946 (CHEMBL108213 | Sodium; 9-fluoro-3-m-tolyl-5H-6-thi...) Show SMILES Cc1cccc(c1)-c1ccc-2c(CSc3c-2nc2ccc(F)cc2c3C([O-])=O)c1 Show InChI InChI=1S/C24H16FNO2S/c1-13-3-2-4-14(9-13)15-5-7-18-16(10-15)12-29-23-21(24(27)28)19-11-17(25)6-8-20(19)26-22(18)23/h2-11H,12H2,1H3,(H,27,28)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	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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