Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM470453'   

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))	BDBM470453 (N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydro...) Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C22H20ClF5N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/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	6.17	n/a	n/a	n/a	n/a	n/a	n/a
BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; 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 US10815215 (2020) BindingDB Entry DOI: 10.7270/Q2RJ4NJH
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470453 (N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydro...) Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C22H20ClF5N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2HQ4414
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470453 (N-(2-chloro-6-fluorophenyl)-5-fluoro-4-[3-(2-hydro...) Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r| Show InChI InChI=1S/C22H20ClF5N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/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	6.17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The enzymatic assay couples DHODH activity with bleaching of the dye 2,6-dichlorophenolindophenol (DCIP) (Knecht and Loffler, 1998; Miller et al., 19...				Citation and Details BindingDB Entry DOI: 10.7270/Q20C4ZXM
					More data for this Ligand-Target Pair