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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8' and Ligand = 'BDBM254813'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 8


(Homo sapiens (Human))
BDBM254813
PNG
(US9475775, 80 | US9597333, 80)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cncc(CCN)c1 |t:9,18|
Show InChI InChI=1S/C25H32N6O2/c1-3-9-31(10-4-2)25(33)20-12-18-5-6-19(13-22(18)30-23(27)14-20)24(32)29-21-11-17(7-8-26)15-28-16-21/h5-6,11-13,15-16H,3-4,7-10,14,26H2,1-2H3,(H2,27,30)(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/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 US9597333 (2017)


BindingDB Entry DOI: 10.7270/Q2474CXF
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM254813
PNG
(US9475775, 80 | US9597333, 80)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cncc(CCN)c1 |t:9,18|
Show InChI InChI=1S/C25H32N6O2/c1-3-9-31(10-4-2)25(33)20-12-18-5-6-19(13-22(18)30-23(27)14-20)24(32)29-21-11-17(7-8-26)15-28-16-21/h5-6,11-13,15-16H,3-4,7-10,14,26H2,1-2H3,(H2,27,30)(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 17n/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 US9475775 (2016)


BindingDB Entry DOI: 10.7270/Q2QC02D4
More data for this
Ligand-Target Pair