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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 = 'BDBM254786'   
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))
BDBM254786
PNG
(US9475775, 53 | US9597333, 53)
Show SMILES CCCN(CC1CC1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:11,20|
Show InChI InChI=1S/C26H30N4O2/c1-3-11-30(16-18-7-8-18)26(32)21-13-19-9-10-20(14-23(19)29-24(27)15-21)25(31)28-22-6-4-5-17(2)12-22/h4-6,9-10,12-14,18H,3,7-8,11,15-16H2,1-2H3,(H2,27,29)(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.00E+4n/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))
BDBM254786
PNG
(US9475775, 53 | US9597333, 53)
Show SMILES CCCN(CC1CC1)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:11,20|
Show InChI InChI=1S/C26H30N4O2/c1-3-11-30(16-18-7-8-18)26(32)21-13-19-9-10-20(14-23(19)29-24(27)15-21)25(31)28-22-6-4-5-17(2)12-22/h4-6,9-10,12-14,18H,3,7-8,11,15-16H2,1-2H3,(H2,27,29)(H,28,31)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.00E+4n/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