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BDBM470479 5-fluoro-N-(2-fluoro-6-methylphenyl)-4-{3-[(1S)-1-hydroxyethyl]-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl}-2-[(2S)-pentan-2-yloxy]benzamide::US10815215, Example 142

SMILES: CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc([C@H](C)O)n(C)c1=O

InChI Key: InChIKey=OPBVIMWRUUSBNL-GJZGRUSLSA-N

Data: 1 IC50

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   Substructure
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 470479   
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


(Homo sapiens (Human))
BDBM470479
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc([C@H](C)O)n(C)c1=O |r|
Show InChI InChI=1S/C24H28F2N4O4/c1-6-8-14(3)34-20-12-19(30-24(33)29(5)22(28-30)15(4)31)18(26)11-16(20)23(32)27-21-13(2)9-7-10-17(21)25/h7,9-12,14-15,31H,6,8H2,1-5H3,(H,27,32)/t14-,15-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
n/an/a 7n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Dihydroorotate dehydrogenase


(Homo sapiens (Human))
BDBM470479
PNG
(5-fluoro-N-(2-fluoro-6-methylphenyl)-4-{3-[(1S)-1-...)
Show SMILES CCC[C@H](C)Oc1cc(c(F)cc1C(=O)Nc1c(C)cccc1F)-n1nc([C@H](C)O)n(C)c1=O |r|
Show InChI InChI=1S/C24H28F2N4O4/c1-6-8-14(3)34-20-12-19(30-24(33)29(5)22(28-30)15(4)31)18(26)11-16(20)23(32)27-21-13(2)9-7-10-17(21)25/h7,9-12,14-15,31H,6,8H2,1-5H3,(H,27,32)/t14-,15-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
US Patent
n/an/a 7n/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