Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM490548'   

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))	BDBM490548 (5-fluoro-4-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1nc2ccccn2c1=O |r| Show InChI InChI=1S/C25H22F4N4O3/c1-3-7-15(2)36-21-14-20(33-24(35)32-11-5-4-10-22(32)31-33)19(26)13-18(21)23(34)30-17-9-6-8-16(12-17)25(27,28)29/h4-6,8-15H,3,7H2,1-2H3,(H,30,34)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGESELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION US Patent					Assay Description Assay—2: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-Dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...				US Patent US10968216 (2021) BindingDB Entry DOI: 10.7270/Q2WM1HJN
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM490548 (5-fluoro-4-(3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1cccc(c1)C(F)(F)F)-n1nc2ccccn2c1=O |r| Show InChI InChI=1S/C25H22F4N4O3/c1-3-7-15(2)36-21-14-20(33-24(35)32-11-5-4-10-22(32)31-33)19(26)13-18(21)23(34)30-17-9-6-8-16(12-17)25(27,28)29/h4-6,8-15H,3,7H2,1-2H3,(H,30,34)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGESELLSCHAFT; THE BROAD INSTITUTE, INC.; PRESIDENT AND FELLOWS OF HARVARD COLLEGE; THE GENERAL HOSPITAL CORPORATION US Patent					Assay Description Assay—1: The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller e...				US Patent US10968216 (2021) BindingDB Entry DOI: 10.7270/Q2WM1HJN
					More data for this Ligand-Target Pair