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BDBM337680 3-[3-Fluoro-2-(trifluoromethyl)benzyl]-2,4-dioxo-1-[4-(2-oxotetrahydropyrimidin-1(2H)-yl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid::US9751843, 55

SMILES: OC(=O)c1cn(-c2ccc(cc2)N2CCCNC2=O)c(=O)n(Cc2cccc(F)c2C(F)(F)F)c1=O

InChI Key: InChIKey=DLUWXUWMRNDTSV-UHFFFAOYSA-N

Data: 1 IC50

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 337680   
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
Chymase


(Homo sapiens (Human))
BDBM337680
PNG
(3-[3-Fluoro-2-(trifluoromethyl)benzyl]-2,4-dioxo-1...)
Show SMILES OC(=O)c1cn(-c2ccc(cc2)N2CCCNC2=O)c(=O)n(Cc2cccc(F)c2C(F)(F)F)c1=O
Show InChI InChI=1S/C23H18F4N4O5/c24-17-4-1-3-13(18(17)23(25,26)27)11-31-19(32)16(20(33)34)12-30(22(31)36)15-7-5-14(6-8-15)29-10-2-9-28-21(29)35/h1,3-8,12H,2,9-11H2,(H,28,35)(H,33,34)
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MMDB

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US Patent
n/an/a 222n/an/an/an/an/an/a



Bayer Pharma Aktiengesellschaft

US Patent


Assay Description
The enzyme source used is recombinant human chymase (expressed in HEK293 cells) or chymase purified from hamsters' tongues. The substrate used fo...


US Patent US9751843 (2017)


BindingDB Entry DOI: 10.7270/Q2V98B6B
More data for this
Ligand-Target Pair