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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 = 'BDBM254755'   
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))
BDBM254755
PNG
(US9475775, 22 | US9597333, 22)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)nc1 |t:9,18|
Show InChI InChI=1S/C24H29N5O2/c1-4-10-29(11-5-2)24(31)19-12-17-7-8-18(13-21(17)28-22(25)14-19)23(30)27-20-9-6-16(3)26-15-20/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H2,25,28)(H,27,30)
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))
BDBM254755
PNG
(US9475775, 22 | US9597333, 22)
Show SMILES CCCN(CCC)C(=O)C1=Cc2ccc(cc2N=C(N)C1)C(=O)Nc1ccc(C)nc1 |t:9,18|
Show InChI InChI=1S/C24H29N5O2/c1-4-10-29(11-5-2)24(31)19-12-17-7-8-18(13-21(17)28-22(25)14-19)23(30)27-20-9-6-16(3)26-15-20/h6-9,12-13,15H,4-5,10-11,14H2,1-3H3,(H2,25,28)(H,27,30)
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