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SMILES: CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc([C@H](C)O)n(C)c1=O

InChI Key: InChIKey=GTQRUFUJOIEXSQ-STQMWFEESA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 470473   
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))
BDBM470473
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc([C@H](C)O)n(C)c1=O |r|
Show InChI InChI=1S/C23H25ClF2N4O4/c1-5-7-12(2)34-19-11-18(30-23(33)29(4)21(28-30)13(3)31)17(26)10-14(19)22(32)27-20-15(24)8-6-9-16(20)25/h6,8-13,31H,5,7H2,1-4H3,(H,27,32)/t12-,13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 5n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial


(Homo sapiens (Human))
BDBM470473
PNG
(N-(2-chloro-6-fluorophenyl)-5-fluoro-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(F)cccc1Cl)-n1nc([C@H](C)O)n(C)c1=O |r|
Show InChI InChI=1S/C23H25ClF2N4O4/c1-5-7-12(2)34-19-11-18(30-23(33)29(4)21(28-30)13(3)31)17(26)10-14(19)22(32)27-20-15(24)8-6-9-16(20)25/h6,8-13,31H,5,7H2,1-4H3,(H,27,32)/t12-,13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 5n/an/an/an/an/an/a



BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGELLSCHAFT; 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 US10815215 (2020)

More data for this
Ligand-Target Pair