null

SMILES: CCc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C

InChI Key: InChIKey=VCRAQJPISQOSQO-LBPRGKRZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 470412   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/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))	BDBM470412 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C |r| Show InChI InChI=1S/C22H21F5N4O3/c1-5-18-29-31(21(33)30(18)4)16-10-17(34-12(3)22(25,26)27)13(9-15(16)24)20(32)28-19-11(2)7-6-8-14(19)23/h6-10,12H,5H2,1-4H3,(H,28,32)/t12-/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	7.75	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))	BDBM470412 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C |r| Show InChI InChI=1S/C22H21F5N4O3/c1-5-18-29-31(21(33)30(18)4)16-10-17(34-12(3)22(25,26)27)13(9-15(16)24)20(32)28-19-11(2)7-6-8-14(19)23/h6-10,12H,5H2,1-4H3,(H,28,32)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.75	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))	BDBM470412 (4-(3-ethyl-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-tri...) Show SMILES CCc1nn(-c2cc(O[C@@H](C)C(F)(F)F)c(cc2F)C(=O)Nc2c(C)cccc2F)c(=O)n1C |r| Show InChI InChI=1S/C22H21F5N4O3/c1-5-18-29-31(21(33)30(18)4)16-10-17(34-12(3)22(25,26)27)13(9-15(16)24)20(32)28-19-11(2)7-6-8-14(19)23/h6-10,12H,5H2,1-4H3,(H,28,32)/t12-/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	7.75	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