Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM470532'   

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))	BDBM470532 (N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...) Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O |r| Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/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	4.30	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))	BDBM470532 (N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...) Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O |r| Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.30	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))	BDBM470532 (N-(2-chloro-6-fluoro-4-hydroxyphenyl)-4-[4-ethyl-3...) Show SMILES CCn1c(CO)nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(F)cc(O)cc2Cl)c1=O |r| Show InChI InChI=1S/C21H18ClF5N4O5/c1-3-30-17(8-32)29-31(20(30)35)15-7-16(36-9(2)21(25,26)27)11(6-13(15)23)19(34)28-18-12(22)4-10(33)5-14(18)24/h4-7,9,32-33H,3,8H2,1-2H3,(H,28,34)/t9-/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	4.30	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