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SMILES: C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O)c1ccccc1

InChI Key: InChIKey=IVIPHRSTYHYZFE-SFHVURJKSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 490595   
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))
BDBM490595
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-(3-oxo-5,6,...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26F2N4O3/c1-17-9-8-12-21(29)26(17)31-27(35)20-15-22(30)23(34-28(36)33-14-7-6-13-25(33)32-34)16-24(20)37-18(2)19-10-4-3-5-11-19/h3-5,8-12,15-16,18H,6-7,13-14H2,1-2H3,(H,31,35)/t18-/m0/s1
PDB
MMDB

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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—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))
BDBM490595
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-(3-oxo-5,6,...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc2CCCCn2c1=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26F2N4O3/c1-17-9-8-12-21(29)26(17)31-27(35)20-15-22(30)23(34-28(36)33-14-7-6-13-25(33)32-34)16-24(20)37-18(2)19-10-4-3-5-11-19/h3-5,8-12,15-16,18H,6-7,13-14H2,1-2H3,(H,31,35)/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 12.7n/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