Found 18 hits for monomerid = 427909 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/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 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/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 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/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 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.79E+3 | n/a | n/a | n/a | n/a | n/a | n/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 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.25E+3 | n/a | n/a | n/a | n/a | n/a | n/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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
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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)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| PC cid
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| | n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| | n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | UniProtKB/SwissProt
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TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| | n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| | n/a | n/a | 4.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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Citation and Details
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427909
(US10544143, Example 343 | US10544143, Example 344 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)| Show InChI InChI=1S/C28H33FN6O2/c1-16(2)23-25(18-8-22(36-3)27-30-15-31-35(27)10-18)32-21-9-20(29)24(33-26(21)23)17-4-6-19(7-5-17)34-11-28(12-34)13-37-14-28/h8-10,15-17,19,32H,4-7,11-14H2,1-3H3 | PDB
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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