BindingDB logo
myBDB logout

null

SMILES: C[C@H](Oc1cc(c(F)cc1C(=O)Nc1cnccc1C)-n1nc2CCCCn2c1=O)C1CCCCC1

InChI Key: InChIKey=RYIQMLQJOJEFBJ-SFHVURJKSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 490498   
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))		BDBM490498
PNG
(2-[(1S)-1-cyclohexylethoxy]-5-fluoro-N-(4-methylpy...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1cnccc1C)-n1nc2CCCCn2c1=O)C1CCCCC1 |r|
Show InChI InChI=1S/C27H32FN5O3/c1-17-11-12-29-16-22(17)30-26(34)20-14-21(28)23(33-27(35)32-13-7-6-10-25(32)31-33)15-24(20)36-18(2)19-8-4-3-5-9-19/h11-12,14-16,18-19H,3-10,13H2,1-2H3,(H,30,34)/t18-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
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