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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 8' and Ligand = 'BDBM428633'   
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 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.170n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.170n/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 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


US Patent US10730877 (2020)


BindingDB Entry DOI: 10.7270/Q2H41VH3
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/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 8


(Homo sapiens (Human))
BDBM428633
PNG
(US10544143, Example 1069 | US10544143, Example 107...)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CC2(C1)CCOC2 |(10.81,1.71,;9.27,1.71,;8.5,.38,;6.96,.38,;6.19,-.96,;6.96,-2.29,;8.5,-2.29,;9.53,-3.44,;10.93,-2.81,;10.77,-1.28,;9.27,-.96,;4.65,-.96,;3.74,-2.2,;2.28,-1.73,;.94,-2.5,;-.39,-1.73,;-.39,-.19,;.94,.58,;2.28,-.19,;3.74,.29,;4.14,1.78,;5.63,2.17,;3.05,2.87,;-1.88,.21,;-2.28,1.7,;-3.76,2.1,;-4.85,1.01,;-4.45,-.48,;-2.97,-.88,;-6.34,1.41,;-7.11,2.74,;-8.44,1.97,;-7.67,.64,;-9.69,1.07,;-10.93,1.97,;-10.46,3.44,;-8.92,3.44,)|
Show InChI InChI=1S/C29H36N6O2/c1-18(2)25-26(20-12-24(36-3)28-30-17-31-35(28)13-20)33-23-9-8-22(32-27(23)25)19-4-6-21(7-5-19)34-14-29(15-34)10-11-37-16-29/h8-9,12-13,17-19,21,33H,4-7,10-11,14-16H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.720n/an/an/an/an/an/a



Bristol-Myers Squibb Company

US Patent


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


US Patent US10544143 (2020)


BindingDB Entry DOI: 10.7270/Q2QF8W80
More data for this
Ligand-Target Pair