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SMILES: C[C@H](Oc1cc(c(F)cc1C(=O)Nc1ccc(F)cc1C)-n1nc2CCCCn2c1=O)C1CCCCC1

InChI Key: InChIKey=XDFFGHBNIFCAGU-SFHVURJKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490484   
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))		BDBM490484
PNG
(2-[(1S)-1-cyclohexylethoxy]-5-fluoro-N-(4-fluoro-2...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1ccc(F)cc1C)-n1nc2CCCCn2c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C28H32F2N4O3/c1-17-14-20(29)11-12-23(17)31-27(35)21-15-22(30)24(34-28(36)33-13-7-6-10-26(33)32-34)16-25(21)37-18(2)19-8-4-3-5-9-19/h11-12,14-16,18-19H,3-10,13H2,1-2H3,(H,31,35)/t18-/m0/s1
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US Patent
n/an/a<5n/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