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Compile Data Set for Download or QSAR

Found 1404 hits Enz. Inhib. hit(s) with all data for entry = 11864   
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))
BDBM655471
PNG
(US11912703, Example 454)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCN(C)C[C@H]3C)c(F)c12)-c1cn2ncnc2c(C)c1C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 0.0500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655471
PNG
(US11912703, Example 454)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCN(C)C[C@H]3C)c(F)c12)-c1cn2ncnc2c(C)c1C |r|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 0.0500n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655374
PNG
(US11912703, Example 171 | US11912703, Example 172)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NCC3(C)COC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(1.86,3.23,;2.95,2.14,;4.43,2.54,;2.55,.65,;3.45,-.59,;2.55,-1.84,;1.08,-1.36,;-.25,-2.13,;-1.58,-1.36,;-1.58,.18,;-2.92,.95,;-2.92,2.49,;-4.25,3.26,;-5.59,2.49,;-5.59,.95,;-4.25,.18,;-6.92,3.26,;-8.25,2.49,;-8.25,.95,;-9.74,1.35,;-9.34,-.14,;-8.25,-1.23,;-7.16,-.14,;-.25,.95,;-.25,2.49,;1.08,.18,;4.99,-.59,;5.76,.74,;7.3,.74,;8.33,1.89,;9.74,1.26,;9.58,-.27,;8.07,-.59,;7.3,-1.93,;8.07,-3.26,;5.76,-1.93,;4.99,-3.26,)|
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.120n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655347
PNG
(US11912703, Example 390)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCN(CC4CC4)CC3)c(F)c2c1C(C)C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 0.150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655290
PNG
(US11912703, Example 129)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NCC3(C)COC3)c(F)c12)-c1cc(C)c2ncnn2c1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 0.150n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655198
PNG
(US11912703, Example 81)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3(C)COC3)c(F)c12)-c1cc(C)c2ncnn2c1 |(1.86,2.78,;2.95,1.69,;4.43,2.09,;2.55,.2,;3.45,-1.04,;2.55,-2.29,;1.08,-1.81,;-.25,-2.58,;-1.58,-1.81,;-1.58,-.27,;-2.92,.5,;-2.92,2.04,;-4.25,2.81,;-5.59,2.04,;-5.59,.5,;-4.25,-.27,;-6.92,2.81,;-8.25,2.04,;-8.65,3.52,;-9.74,1.64,;-9.34,.15,;-7.85,.55,;-.25,.5,;-.25,2.04,;1.08,-.27,;4.99,-1.04,;5.76,.29,;7.3,.29,;8.07,1.62,;8.07,-1.04,;9.58,-1.36,;9.74,-2.9,;8.33,-3.52,;7.3,-2.38,;5.76,-2.38,)|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
n/an/a 0.150n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655196
PNG
(US11912703, Example 107 | US11912703, Example 80)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3COC3)c(F)c12)-c1cc(C)c2ncnn2c1 |(2.06,3.14,;3.15,2.05,;4.63,2.45,;2.75,.56,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-1.39,.08,;-2.72,.85,;-2.72,2.39,;-4.05,3.16,;-5.39,2.39,;-5.39,.85,;-4.05,.08,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,;-.05,.85,;-.05,2.39,;1.28,.08,;5.19,-.69,;5.96,.65,;7.5,.65,;8.27,1.98,;8.27,-.69,;9.78,-1.01,;9.94,-2.54,;8.53,-3.16,;7.5,-2.02,;5.96,-2.02,)|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
n/an/a 0.160n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655099
PNG
(US11912703, Example 264)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
n/an/a 0.160n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655473
PNG
(US11912703, Example 455)
Show SMILES CCCN1CCN([C@H](C)C1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C |r|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.170n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655364
PNG
(US11912703, Example 166)
Show SMILES CC(C)NC1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655200
PNG
(US11912703, Example 110 | US11912703, Example 82)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cc(C)c2ncnn2c1 |(2.45,3.14,;3.54,2.05,;5.02,2.45,;3.14,.56,;4.04,-.69,;3.14,-1.93,;1.67,-1.46,;.34,-2.23,;-.99,-1.46,;-.99,.08,;-2.33,.85,;-2.33,2.39,;-3.66,3.16,;-5,2.39,;-5,.85,;-3.66,.08,;-6.33,3.16,;-7.66,2.39,;-9,3.16,;-10.33,2.39,;-10.33,.85,;-9,.08,;-7.66,.85,;.34,.85,;.34,2.39,;1.67,.08,;5.58,-.69,;6.35,.65,;7.89,.65,;8.66,1.98,;8.66,-.69,;10.17,-1.01,;10.33,-2.54,;8.92,-3.16,;7.89,-2.02,;6.35,-2.02,)|
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
n/an/a 0.180n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655389
PNG
(US11912703, Example 411)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCN(CC4CCOCC4)CC3)c(F)c12)-c1cn2ncnc2c(C)c1C
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
n/an/a 0.180n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655408
PNG
(US11912703, Example 188)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NC3(C)COC3)c(F)c2c1C(C)C
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.210n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655242
PNG
(US11912703, Example 105 | US11912703, Example 192)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(C3CCC(CC3)NC3(C)COC3)c(F)c2c1C(C)C |(9.81,1.62,;8.27,1.62,;7.5,.29,;5.96,.29,;5.19,-1.04,;5.96,-2.38,;7.5,-2.38,;8.53,-3.52,;9.94,-2.9,;9.78,-1.36,;8.27,-1.04,;3.65,-1.04,;2.75,-2.29,;1.28,-1.81,;-.05,-2.58,;-1.39,-1.81,;-1.39,-.27,;-2.72,.5,;-2.72,2.04,;-4.05,2.81,;-5.39,2.04,;-5.39,.5,;-4.05,-.27,;-6.72,2.81,;-8.05,2.04,;-8.45,3.52,;-9.54,2.43,;-9.94,.95,;-8.45,.55,;-.05,.5,;-.05,2.04,;1.28,-.27,;2.75,.2,;3.15,1.69,;2.06,2.78,;4.63,2.09,)|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.220n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655238
PNG
(US11912703, Example 103 | US11912703, Example 190)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NC3CCOC3)c(F)c2c1C(C)C
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.220n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655211
PNG
(US11912703, Example 322)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(cc2c1C(C)C)N1CCC(CC1)NCC1(C)COC1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.230n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655176
PNG
(US11912703, Example 70)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)N3CCC3)c(F)c12)-c1cc(C)c2ncnn2c1
PDB

UniProtKB/SwissProt

antibodypedia
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PC sid
UniChem
n/an/a 0.230n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655041
PNG
(US11912703, Example 235)
Show SMILES CCN(C)C1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1C)-c1cc(C)c2ncnn2c1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655041
PNG
(US11912703, Example 235)
Show SMILES CCN(C)C1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1C)-c1cc(C)c2ncnn2c1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655302
PNG
(US11912703, Example 135)
Show SMILES CCN(C)C1CCC(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C |(-9,.18,;-9,1.72,;-7.66,2.49,;-7.66,4.03,;-6.33,1.72,;-5,2.49,;-3.66,1.72,;-3.66,.18,;-5,-.59,;-6.33,.18,;-2.33,-.59,;-2.33,-2.13,;-.99,-2.9,;.34,-2.13,;1.8,-2.61,;2.71,-1.36,;1.8,-.12,;2.2,1.37,;1.11,2.46,;3.69,1.77,;.34,-.59,;-.99,.18,;-.99,1.72,;4.25,-1.36,;5.02,-.03,;6.56,-.03,;7.59,1.12,;9,.49,;8.84,-1.04,;7.33,-1.36,;6.56,-2.69,;7.33,-4.03,;5.02,-2.69,;4.25,-4.03,)|
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655236
PNG
(US11912703, Example 102)
Show SMILES CCN(C)C1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cc(OC)c2ncnn2c1
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.240n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655232
PNG
(US11912703, Example 100)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NC3CCOCC3)c(F)c2c1C(C)C
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.25n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655308
PNG
(US11912703, Example 138)
Show SMILES CCN(C)C1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1C)-c1cc(OC)c2ncnn2c1
PDB

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antibodypedia
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PC sid
UniChem
n/an/a 0.260n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655344
PNG
(US11912703, Example 156)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NCC(C)(C)O)c(F)c2c1C(C)C
PDB

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PC sid
UniChem
n/an/a 0.260n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655137
PNG
(US11912703, Example 283)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NCC(C)(C)O)c(C)c12)-c1cc(C)c2ncnn2c1
PDB

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PC cid
PC sid
UniChem
n/an/a 0.270n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655425
PNG
(US11912703, Example 430)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCN(CC4CC4)CC3)c(F)c12)-c1cn2ncnc2c(C)c1C
PDB

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PC sid
UniChem
n/an/a 0.270n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655326
PNG
(US11912703, Example 147)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NCC3(C)COC3)c(C)c2c1C(C)C
PDB

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PC sid
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n/an/a 0.270n/an/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655300
PNG
(US11912703, Example 134 | US11912703, Example 232)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C |(2.45,3.23,;3.54,2.14,;5.02,2.54,;3.14,.65,;4.04,-.59,;3.14,-1.84,;1.67,-1.36,;.34,-2.13,;-.99,-1.36,;-.99,.18,;-2.33,.95,;-2.33,2.49,;-3.66,3.26,;-5,2.49,;-5,.95,;-3.66,.18,;-6.33,3.26,;-7.66,2.49,;-9,3.26,;-10.33,2.49,;-10.33,.95,;-9,.18,;-7.66,.95,;.34,.95,;.34,2.49,;1.67,.18,;5.58,-.59,;6.35,.74,;7.89,.74,;8.92,1.89,;10.33,1.26,;10.17,-.27,;8.66,-.59,;7.89,-1.93,;8.66,-3.26,;6.35,-1.93,;5.58,-3.26,)|
PDB

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PC cid
PC sid
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n/an/a 0.270n/an/an/an/an/an/a


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Citation and Details
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655193
PNG
(US11912703, Example 313)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(cc2c1C(C)C)N1CCC(CC1)NC(C)C(C)C
PDB

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PC sid
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n/an/a 0.270n/an/an/an/an/an/a


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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655210
PNG
(US11912703, Example 88)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NCC(C)(C)O)c(C)c12)-c1cn2ncnc2c(C)c1C
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
PC sid
UniChem
n/an/a 0.280n/an/an/an/an/an/a


TBA



Citation and Details
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655391
PNG
(US11912703, Example 412)
Show SMILES CC(C)N1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C
PDB

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PC cid
PC sid
UniChem
n/an/a 0.290n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655244
PNG
(US11912703, Example 106 | US11912703, Example 197)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(C3CCC(CC3)N(C)C3COC3)c(F)c2c1C(C)C |(9.81,1.21,;8.27,1.21,;7.5,-.12,;5.96,-.12,;5.19,-1.46,;5.96,-2.79,;7.5,-2.79,;8.53,-3.93,;9.94,-3.31,;9.78,-1.78,;8.27,-1.46,;3.65,-1.46,;2.75,-2.7,;1.28,-2.23,;-.05,-3,;-1.39,-2.23,;-1.39,-.69,;-2.72,.08,;-2.72,1.62,;-4.05,2.39,;-5.39,1.62,;-5.39,.08,;-4.05,-.69,;-6.72,2.39,;-6.72,3.93,;-8.05,1.62,;-9.54,2.02,;-9.94,.54,;-8.45,.14,;-.05,.08,;-.05,1.62,;1.28,-.69,;2.75,-.21,;3.15,1.28,;2.06,2.37,;4.63,1.68,)|
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655144
PNG
(US11912703, Example 54)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NCC3(C)COC3)c(C)c12)-c1cn2ncnc2c(C)c1C
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655333
PNG
(US11912703, Example 383)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCN(CC4CCOCC4)CC3)c(F)c2c1C(C)C
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n/an/a 0.310n/an/an/an/an/an/a


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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655427
PNG
(US11912703, Example 431)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCN(CC3)C3CCOCC3)c(F)c12)-c1cn2ncnc2c(C)c1C
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655204
PNG
(US11912703, Example 136 | US11912703, Example 85)
Show SMILES CC(C)NC1CCC(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C |(-8.33,.95,;-8.33,2.49,;-9.66,3.26,;-7,3.26,;-5.66,2.49,;-4.33,3.26,;-2.99,2.49,;-2.99,.95,;-4.33,.18,;-5.66,.95,;-1.66,.18,;-1.66,-1.36,;-.33,-2.13,;1.01,-1.36,;2.47,-1.84,;3.38,-.59,;2.47,.65,;2.87,2.14,;1.78,3.23,;4.36,2.54,;1.01,.18,;-.33,.95,;-.33,2.49,;4.92,-.59,;5.69,.74,;7.23,.74,;8.26,1.89,;9.66,1.26,;9.5,-.27,;8,-.59,;7.23,-1.93,;8,-3.26,;5.69,-1.93,;4.92,-3.26,)|
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Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655431
PNG
(US11912703, Example 433)
Show SMILES CCN1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cn2ncnc2c(C)c1C
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n/an/a 0.320n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655208
PNG
(US11912703, Example 87)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)N3CCC3)c(C)c2c1C(C)C
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n/an/a 0.330n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655370
PNG
(US11912703, Example 169)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NCC(C)(C)C)c(C)c2c1C(C)C
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n/an/a 0.330n/an/an/an/an/an/a


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Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655236
PNG
(US11912703, Example 102)
Show SMILES CCN(C)C1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cc(OC)c2ncnn2c1
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n/an/a 0.340n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655436
PNG
(US11912703, Example 202)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NC(C)C)c(C)c2c1C(C)C
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n/an/a 0.350n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655235
PNG
(US11912703, Example 334 | US11912703, Example 346)
Show SMILES CC(C)c1c([nH]c2cnc(cc12)C1CCC(CC1)NC1COC1)-c1cn2ncnc2c(C)c1C |(2.06,3.23,;3.15,2.14,;4.63,2.54,;2.75,.65,;3.65,-.59,;2.75,-1.84,;1.28,-1.36,;-.05,-2.13,;-1.39,-1.36,;-1.39,.18,;-.05,.95,;1.28,.18,;-2.72,.95,;-2.72,2.49,;-4.05,3.26,;-5.39,2.49,;-5.39,.95,;-4.05,.18,;-6.72,3.26,;-8.05,2.49,;-9.54,2.89,;-9.94,1.4,;-8.45,1,;5.19,-.59,;5.96,.74,;7.5,.74,;8.53,1.89,;9.94,1.26,;9.78,-.27,;8.27,-.59,;7.5,-1.93,;8.27,-3.26,;5.96,-1.93,;5.19,-3.26,)|
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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655087
PNG
(US11912703, Example 258)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NCC(C)(C)O)c(F)c12)-c1cc(C)c2ncnn2c1
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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655472
PNG
(US11912703, Example 220)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cc(C)c2ncnn2c1
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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655370
PNG
(US11912703, Example 169)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)NCC(C)(C)C)c(C)c2c1C(C)C
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n/an/a 0.360n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655200
PNG
(US11912703, Example 110 | US11912703, Example 82)
Show SMILES CC(C)c1c([nH]c2cnc(C3CCC(CC3)NC3CCOCC3)c(F)c12)-c1cc(C)c2ncnn2c1 |(2.45,3.14,;3.54,2.05,;5.02,2.45,;3.14,.56,;4.04,-.69,;3.14,-1.93,;1.67,-1.46,;.34,-2.23,;-.99,-1.46,;-.99,.08,;-2.33,.85,;-2.33,2.39,;-3.66,3.16,;-5,2.39,;-5,.85,;-3.66,.08,;-6.33,3.16,;-7.66,2.39,;-9,3.16,;-10.33,2.39,;-10.33,.85,;-9,.08,;-7.66,.85,;.34,.85,;.34,2.39,;1.67,.08,;5.58,-.69,;6.35,.65,;7.89,.65,;8.66,1.98,;8.66,-.69,;10.17,-1.01,;10.33,-2.54,;8.92,-3.16,;7.89,-2.02,;6.35,-2.02,)|
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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655124
PNG
(US11912703, Example 44)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)N3CC4(COC4)C3)c(F)c12)-c1cc(C)c2ncnn2c1
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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655101
PNG
(US11912703, Example 265)
Show SMILES CC(C)c1c([nH]c2cnc(N3CCC(CC3)NC3CCOCC3)c(C)c12)-c1cc(C)c2ncnn2c1
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More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM655206
PNG
(US11912703, Example 86)
Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cnc(N3CCC(CC3)N(C)C(C)C)c(C)c2c1C(C)C
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n/an/a 0.370n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM655345
PNG
(US11912703, Example 389)
Show SMILES CCN1CCN(CC1)c1ncc2[nH]c(c(C(C)C)c2c1F)-c1cc(OC)c2ncnn2c1
PDB

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n/an/a 0.380n/an/an/an/an/an/a


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More data for this
Ligand-Target Pair
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