Found 18 hits for monomerid = 427875 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.310 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 3.02E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 268 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.40 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 41 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.02E+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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 0.310 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.60 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 268 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 1.40 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 41 | 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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 3.02E+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)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
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| PC cid
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UniChem
| | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 9
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | UniProtKB/SwissProt
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TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 7
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
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| PC cid
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UniChem
| | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
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| PC cid
PC sid
UniChem
| | n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2S46W4Z |
More data for this
Ligand-Target Pair | |
Toll-like receptor 8
(Homo sapiens (Human)) | BDBM427875
(US10544143, Example 309 | US10544143, Example 316 ...)Show SMILES COc1cc(cn2ncnc12)-c1[nH]c2cc(C)c(nc2c1C(C)C)C1CCC(CC1)NC1COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-9.54,2.79,;-9.94,1.31,;-8.45,.91,)| Show InChI InChI=1S/C27H34N6O2/c1-15(2)23-25(18-10-22(34-4)27-28-14-29-33(27)11-18)31-21-9-16(3)24(32-26(21)23)17-5-7-19(8-6-17)30-20-12-35-13-20/h9-11,14-15,17,19-20,30-31H,5-8,12-13H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| US Patent
| n/a | n/a | 4.60 | 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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