Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM50069966'   

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))	BDBM50069966 (CHEMBL104824 | Sodium; 9-fluoro-3-(3-trifluorometh...) Show SMILES [O-]C(=O)c1c2CCc3cc(ccc3-c2nc2ccc(F)cc12)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C25H15F4NO2/c26-17-6-9-21-20(12-17)22(24(31)32)19-8-5-15-10-14(4-7-18(15)23(19)30-21)13-2-1-3-16(11-13)25(27,28)29/h1-4,6-7,9-12H,5,8H2,(H,31,32)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	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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