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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 = 'BDBM254762'   
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))
BDBM254762
PNG
(US9475775, 29 | US9597333, 29)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(CC)c1 |t:9,18|
Show InChI InChI=1S/C26H32N4O2/c1-4-12-30(13-5-2)26(32)21-15-19-10-11-20(16-23(19)29-24(27)17-21)25(31)28-22-9-7-8-18(6-3)14-22/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H2,27,29)(H,28,31)
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))
BDBM254762
PNG
(US9475775, 29 | US9597333, 29)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(CC)c1 |t:9,18|
Show InChI InChI=1S/C26H32N4O2/c1-4-12-30(13-5-2)26(32)21-15-19-10-11-20(16-23(19)29-24(27)17-21)25(31)28-22-9-7-8-18(6-3)14-22/h7-11,14-16H,4-6,12-13,17H2,1-3H3,(H2,27,29)(H,28,31)
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