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BDBM470467 N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypropan-2-yl)-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}benzamide::US10815215, Example 133

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

InChI Key: InChIKey=SRQHOZODOPZVCU-JTQLQIEISA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 470467   
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))
BDBM470467
PNG
(N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20Cl2F4N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/m0/s1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
n/an/a 4.5n/an/an/an/an/an/a


TBA



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


(Homo sapiens (Human))
BDBM470467
PNG
(N-(2,6-dichlorophenyl)-5-fluoro-4-[3-(2-hydroxypro...)
Show SMILES C[C@H](Oc1cc(c(F)cc1C(=O)Nc1c(Cl)cccc1Cl)-n1nc(n(C)c1=O)C(C)(C)O)C(F)(F)F |r|
Show InChI InChI=1S/C22H20Cl2F4N4O4/c1-10(22(26,27)28)36-16-9-15(32-20(34)31(4)19(30-32)21(2,3)35)14(25)8-11(16)18(33)29-17-12(23)6-5-7-13(17)24/h5-10,35H,1-4H3,(H,29,33)/t10-/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 4.5n/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