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SMILES: CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O

InChI Key: InChIKey=QBZVRQSTSPLRNU-INIZCTEOSA-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 2 hits for monomerid = 490360   
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))
BDBM490360
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-(3-oxo-5,6,...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O |r|
Show InChI InChI=1S/C25H28F2N4O3/c1-4-8-16(3)34-21-14-20(31-25(33)30-12-6-5-11-22(30)29-31)19(27)13-17(21)24(32)28-23-15(2)9-7-10-18(23)26/h7,9-10,13-14,16H,4-6,8,11-12H2,1-3H3,(H,28,32)/t16-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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—2: 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
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM490360
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-(3-oxo-5,6,...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O |r|
Show InChI InChI=1S/C25H28F2N4O3/c1-4-8-16(3)34-21-14-20(31-25(33)30-12-6-5-11-22(30)29-31)19(27)13-17(21)24(32)28-23-15(2)9-7-10-18(23)26/h7,9-10,13-14,16H,4-6,8,11-12H2,1-3H3,(H,28,32)/t16-/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 92.5n/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