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SMILES: CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1C(F)(F)F)-n1nc2CCCCn2c1=O

InChI Key: InChIKey=LREMAJCFUDYLGZ-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490347   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))		BDBM490347
PNG
(5-fluoro-N-[2-methyl-6-(trifluoromethyl)phenyl]-4-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1C(F)(F)F)-n1nc2CCCCn2c1=O |r|
Show InChI InChI=1S/C26H28F4N4O3/c1-4-8-16(3)37-21-14-20(34-25(36)33-12-6-5-11-22(33)32-34)19(27)13-17(21)24(35)31-23-15(2)9-7-10-18(23)26(28,29)30/h7,9-10,13-14,16H,4-6,8,11-12H2,1-3H3,(H,31,35)/t16-/m0/s1
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PC cid
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US Patent
n/an/a 2.70n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair