Found 18 hits for monomerid = 428023 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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.320 | 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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.84E+3 | n/a | n/a | n/a | n/a | n/a | n/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 9
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 622 | 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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | 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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | 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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 9.84E+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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.320 | 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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.300 | 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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 622 | 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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 5 | 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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
UniProtKB/SwissProt
antibodypedia
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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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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antibodypedia
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AffyNet
| PC cid
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UniChem
| US Patent
| n/a | n/a | 9.84E+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)
BindingDB Entry DOI: 10.7270/Q2H41VH3 |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.320 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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 9
(Homo sapiens (Human)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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| PC cid
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| US Patent
| n/a | n/a | 622 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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antibodypedia
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| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM428023
(US10544143, Example 457 | US10544143, Example 458 ...)Show SMILES CC(C)c1c([nH]c2ccc(nc12)C1CCC(CC1)N(CCS(C)(=O)=O)CC#N)-c1cn2ncnc2c(C)c1C |(2.45,1.69,;3.54,.6,;5.02,1,;3.14,-.89,;4.04,-2.13,;3.14,-3.38,;1.67,-2.9,;.34,-3.67,;-.99,-2.9,;-.99,-1.36,;.34,-.59,;1.67,-1.36,;-2.33,-.59,;-2.33,.95,;-3.66,1.72,;-5,.95,;-5,-.59,;-3.66,-1.36,;-6.33,1.72,;-7.66,.95,;-7.66,-.59,;-9,-1.36,;-9.77,-.03,;-8.23,-2.69,;-10.33,-2.13,;-6.33,3.26,;-5,4.03,;-3.66,4.8,;5.58,-2.13,;6.35,-.8,;7.89,-.8,;8.92,.35,;10.33,-.28,;10.17,-1.81,;8.66,-2.13,;7.89,-3.47,;8.66,-4.8,;6.35,-3.47,;5.58,-4.8,)| Show InChI InChI=1S/C29H37N7O2S/c1-18(2)26-27(23-16-36-29(31-17-32-36)20(4)19(23)3)34-25-11-10-24(33-28(25)26)21-6-8-22(9-7-21)35(13-12-30)14-15-39(5,37)38/h10-11,16-18,21-22,34H,6-9,13-15H2,1-5H3 | PDB
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antibodypedia
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| PC cid
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UniChem
| US Patent
| n/a | n/a | 0.300 | 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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