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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' and Ligand = 'BDBM254758'   
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 7


(Homo sapiens (Human))
BDBM254758
PNG
(US9475775, 25 | US9597333, 25)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(CCN)cc1 |t:9,18|
Show InChI InChI=1S/C26H33N5O2/c1-3-13-31(14-4-2)26(33)21-15-19-7-8-20(16-23(19)30-24(28)17-21)25(32)29-22-9-5-18(6-10-22)11-12-27/h5-10,15-16H,3-4,11-14,17,27H2,1-2H3,(H2,28,30)(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/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 7


(Homo sapiens (Human))
BDBM254758
PNG
(US9475775, 25 | US9597333, 25)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(CCN)cc1 |t:9,18|
Show InChI InChI=1S/C26H33N5O2/c1-3-13-31(14-4-2)26(33)21-15-19-7-8-20(16-23(19)30-24(28)17-21)25(32)29-22-9-5-18(6-10-22)11-12-27/h5-10,15-16H,3-4,11-14,17,27H2,1-2H3,(H2,28,30)(H,29,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a>1.00E+5n/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