Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Dihydroorotate dehydrogenase (quinone), mitochondrial' and Ligand = 'BDBM470358'   

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))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/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	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 2: 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))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/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	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
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	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))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/t15-/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	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))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/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	6	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))	BDBM470358 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc(CC)n(C)c1=O |r| Show InChI InChI=1S/C24H28F2N4O3/c1-6-9-15(4)33-20-13-19(30-24(32)29(5)21(7-2)28-30)18(26)12-16(20)23(31)27-22-14(3)10-8-11-17(22)25/h8,10-13,15H,6-7,9H2,1-5H3,(H,27,31)/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	6	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