Found 18 hits for monomerid = 427884 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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.170 | 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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.36E+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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.06E+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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | 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 8
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | 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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.36E+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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.170 | 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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 2.10 | 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 US10730877 (2020)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.06E+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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.10 | 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 US10730877 (2020)
|
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 31 | 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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.36E+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)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
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antibodypedia
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UniChem
| | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
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More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | UniProtKB/SwissProt
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More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
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More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427884
(US10544143, Example 318 | US10544143, Example 323 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(N)CC1 |(8.2,1.98,;6.66,1.98,;5.89,.65,;4.35,.65,;3.58,-.69,;4.35,-2.02,;5.89,-2.02,;6.92,-3.16,;8.33,-2.54,;8.17,-1.01,;6.66,-.69,;2.04,-.69,;1.14,-1.93,;-.33,-1.46,;-1.66,-2.23,;-2.99,-1.46,;-4.33,-2.23,;-2.99,.08,;-1.66,.85,;-.33,.08,;1.14,.56,;1.54,2.05,;.45,3.14,;3.02,2.45,;-4.33,.85,;-5.66,.08,;-7,.85,;-7,2.39,;-8.33,3.16,;-5.66,3.16,;-4.33,2.39,)| Show InChI InChI=1S/C24H30N6O/c1-13(2)20-22(16-10-19(31-4)24-26-12-27-30(24)11-16)28-18-9-14(3)21(29-23(18)20)15-5-7-17(25)8-6-15/h9-13,15,17,28H,5-8,25H2,1-4H3 | PDB
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| US Patent
| n/a | n/a | 2.10 | 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 |
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Ligand-Target Pair | |
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