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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 = 'BDBM516908'   
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))
BDBM516908
PNG
(US11053244, Example 328 | US11053244, Example 329)
Show SMILES COc1cc(c[nH]\c1=N/C=N)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(-7.63,-.56,;-6.09,-.56,;-5.32,.77,;-3.78,.77,;-3.01,2.1,;-3.78,3.44,;-5.32,3.44,;-6.09,2.1,;-7.63,2.1,;-8.4,3.44,;-9.94,3.44,;-1.47,2.1,;-.56,3.35,;.9,2.87,;2.23,3.64,;3.57,2.87,;4.9,3.64,;3.57,1.33,;2.23,.56,;.9,1.33,;-.56,.86,;-1.04,-.61,;-2.55,-.93,;-.01,-1.75,;4.9,.56,;6.23,1.33,;7.57,.56,;7.57,-.98,;6.23,-1.75,;4.9,-.98,;8.9,-1.75,;8.9,-3.29,;7.66,-4.19,;8.13,-5.66,;9.67,-5.66,;10.15,-4.19,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.0800n/an/an/an/an/an/a


TBA

Assay Description
HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM516908
PNG
(US11053244, Example 328 | US11053244, Example 329)
Show SMILES COc1cc(c[nH]\c1=N/C=N)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1CCOC1 |(-7.63,-.56,;-6.09,-.56,;-5.32,.77,;-3.78,.77,;-3.01,2.1,;-3.78,3.44,;-5.32,3.44,;-6.09,2.1,;-7.63,2.1,;-8.4,3.44,;-9.94,3.44,;-1.47,2.1,;-.56,3.35,;.9,2.87,;2.23,3.64,;3.57,2.87,;4.9,3.64,;3.57,1.33,;2.23,.56,;.9,1.33,;-.56,.86,;-1.04,-.61,;-2.55,-.93,;-.01,-1.75,;4.9,.56,;6.23,1.33,;7.57,.56,;7.57,-.98,;6.23,-1.75,;4.9,-.98,;8.9,-1.75,;8.9,-3.29,;7.66,-4.19,;8.13,-5.66,;9.67,-5.66,;10.15,-4.19,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.60n/an/an/an/an/an/a


TBA

Assay Description
HEK-Blue™-cells (Invivogen) overexpressing human TLR7, TLR8 or TLR9 receptors were used for screening inhibitors of these receptors using an inducibl...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2S46W4Z
More data for this
Ligand-Target Pair