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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 = 'BDBM254802'   
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))
BDBM254802
PNG
(US9475775, 69 | US9597333, 69)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cncc(CCc2ccccc2)c1 |t:9,18|
Show InChI InChI=1S/C31H35N5O2/c1-3-14-36(15-4-2)31(38)26-17-24-12-13-25(18-28(24)35-29(32)19-26)30(37)34-27-16-23(20-33-21-27)11-10-22-8-6-5-7-9-22/h5-9,12-13,16-18,20-21H,3-4,10-11,14-15,19H2,1-2H3,(H2,32,35)(H,34,37)
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))
BDBM254802
PNG
(US9475775, 69 | US9597333, 69)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1cncc(CCc2ccccc2)c1 |t:9,18|
Show InChI InChI=1S/C31H35N5O2/c1-3-14-36(15-4-2)31(38)26-17-24-12-13-25(18-28(24)35-29(32)19-26)30(37)34-27-16-23(20-33-21-27)11-10-22-8-6-5-7-9-22/h5-9,12-13,16-18,20-21H,3-4,10-11,14-15,19H2,1-2H3,(H2,32,35)(H,34,37)
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