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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8' and Ligand = 'BDBM507049'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 8


(Homo sapiens (Human))
BDBM507049
PNG
(2-Amino-8-(5-fluoro-1,4-dihydroquinazolin-2-yl)-N,...)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C1=NCc2c(F)cccc2N1
Show InChI InChI=1S/C25H28FN5O/c1-3-10-31(11-4-2)25(32)18-12-16-8-9-17(13-22(16)29-23(27)14-18)24-28-15-19-20(26)6-5-7-21(19)30-24/h5-9,12-13H,3-4,10-11,14-15H2,1-2H3,(H2,27,29)(H,28,30)
PDB

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PC cid
PC sid
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US Patent
n/an/an/an/a 3n/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For TLR8 and TLR7 activity testing, HEK-Blue human TLR8 or TLR7 cells (Invivogen, San Diego, Calif., USA) are used, respectively. These cells are des...


US Patent US11046671 (2021)

More data for this
Ligand-Target Pair