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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 = 'BDBM254784'   
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))
BDBM254784
PNG
(US9475775, 51 | US9597333, 51)
Show SMILES CCCN(CCC(F)(F)F)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:12,21|
Show InChI InChI=1S/C25H27F3N4O2/c1-3-10-32(11-9-25(26,27)28)24(34)19-13-17-7-8-18(14-21(17)31-22(29)15-19)23(33)30-20-6-4-5-16(2)12-20/h4-8,12-14H,3,9-11,15H2,1-2H3,(H2,29,31)(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.20E+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))
BDBM254784
PNG
(US9475775, 51 | US9597333, 51)
Show SMILES CCCN(CCC(F)(F)F)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cccc(C)c1 |t:12,21|
Show InChI InChI=1S/C25H27F3N4O2/c1-3-10-32(11-9-25(26,27)28)24(34)19-13-17-7-8-18(14-21(17)31-22(29)15-19)23(33)30-20-6-4-5-16(2)12-20/h4-8,12-14H,3,9-11,15H2,1-2H3,(H2,29,31)(H,30,33)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 2.20E+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