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Compile Data Set for Download or QSAR

Found 52 hits of ec50 for UniProtKB: P58681   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Toll-like receptor 7


(Mus musculus)
BDBM50543465
PNG
(CHEMBL4636498)
Show SMILES CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C27H37N3O2/c1-18(2)26-22-16-20(19-10-13-30(14-11-19)15-12-28-3)6-8-23(22)29-27(26)21-7-9-24(31-4)25(17-21)32-5/h6-9,16-19,28-29H,10-15H2,1-5H3
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n/an/an/an/a 2.40n/an/an/an/a



Princ

Curated by ChEMBL


Assay Description
Invivo antagonist activity at TLR7 in po dosed C57BL/6 mouse assessed as reduction of gardiquimod-induced IL-6 production pretreated for 30 mins foll...


ACS Med Chem Lett 11: 1751-1758 (2020)


Article DOI: 10.1021/acsmedchemlett.0c00264
BindingDB Entry DOI: 10.7270/Q22N55TH
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50425234
PNG
(CHEMBL2315158)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
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Article
PubMed
n/an/an/an/a 4.60n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse TLR7


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539350
PNG
(CHEMBL4635551)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](NC(=O)c1ccc(Cn3c(O)nc4c(N)cc(OCCOC)cc34)cc1)[C@@H]2O |r|
Show InChI InChI=1S/C54H78N4O33/c1-78-6-7-79-19-8-20(55)28-21(9-19)58(54(77)57-28)10-17-2-4-18(5-3-17)47(76)56-29-30(65)48-80-22(11-59)41(29)86-49-36(71)31(66)43(24(13-61)81-49)88-51-38(73)33(68)45(26(15-63)83-51)90-53-40(75)35(70)46(27(16-64)85-53)91-52-39(74)34(69)44(25(14-62)84-52)89-50-37(72)32(67)42(87-48)23(12-60)82-50/h2-5,8-9,22-27,29-46,48-53,59-75H,6-7,10-16,55H2,1H3,(H,56,76)(H,57,77)/t22-,23-,24-,25-,26-,27-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-,53-/m1/s1
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n/an/an/an/a 27n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539351
PNG
(CHEMBL4635169)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CO)[C@@H](O1)[C@@H](NC(=O)c1ccc(Cn9c(O)nc%10c(N)cc(OCCOC)cc9%10)cc1)[C@@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C60H88N4O38/c1-87-6-7-88-20-8-21(61)30-22(9-20)64(60(86)63-30)10-18-2-4-19(5-3-18)52(85)62-31-32(72)53-89-23(11-65)45(31)96-54-39(79)33(73)47(25(13-67)90-54)98-56-41(81)35(75)49(27(15-69)92-56)100-58-43(83)37(77)51(29(17-71)94-58)102-59-44(84)38(78)50(28(16-70)95-59)101-57-42(82)36(76)48(26(14-68)93-57)99-55-40(80)34(74)46(97-53)24(12-66)91-55/h2-5,8-9,23-29,31-51,53-59,65-84H,6-7,10-17,61H2,1H3,(H,62,85)(H,63,86)/t23-,24-,25-,26-,27-,28-,29-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-,57-,58-,59-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539351
PNG
(CHEMBL4635169)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CO)[C@@H](O1)[C@@H](NC(=O)c1ccc(Cn9c(O)nc%10c(N)cc(OCCOC)cc9%10)cc1)[C@@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C60H88N4O38/c1-87-6-7-88-20-8-21(61)30-22(9-20)64(60(86)63-30)10-18-2-4-19(5-3-18)52(85)62-31-32(72)53-89-23(11-65)45(31)96-54-39(79)33(73)47(25(13-67)90-54)98-56-41(81)35(75)49(27(15-69)92-56)100-58-43(83)37(77)51(29(17-71)94-58)102-59-44(84)38(78)50(28(16-70)95-59)101-57-42(82)36(76)48(26(14-68)93-57)99-55-40(80)34(74)46(97-53)24(12-66)91-55/h2-5,8-9,23-29,31-51,53-59,65-84H,6-7,10-17,61H2,1H3,(H,62,85)(H,63,86)/t23-,24-,25-,26-,27-,28-,29-,31+,32+,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-,57-,58-,59-/m1/s1
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n/an/an/an/a 40n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539352
PNG
(CHEMBL4636482)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CO)[C@@H](O[C@@]9([H])O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]9O)[C@@H](NC(=O)c1ccc(Cn9c(O)nc%10c(N)nc(OCCOC)nc9%10)cc1)[C@@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C64H96N6O43/c1-96-6-7-97-63-68-52(65)28-53(69-63)70(64(95)67-28)8-17-2-4-18(5-3-17)54(94)66-27-29(79)55-98-19(9-71)44(27)106-56-37(87)30(80)46(21(11-73)99-56)108-58-39(89)32(82)48(23(13-75)101-58)110-60-41(91)34(84)50(25(15-77)103-60)112-62-43(93)36(86)51(26(16-78)105-62)113-61-42(92)35(85)49(24(14-76)104-61)111-59-40(90)33(83)47(22(12-74)102-59)109-57-38(88)31(81)45(107-55)20(10-72)100-57/h2-5,19-27,29-51,55-62,71-93H,6-16H2,1H3,(H,66,94)(H,67,95)(H2,65,68,69)/t19-,20-,21-,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
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n/an/an/an/a 56n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539350
PNG
(CHEMBL4635551)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](NC(=O)c1ccc(Cn3c(O)nc4c(N)cc(OCCOC)cc34)cc1)[C@@H]2O |r|
Show InChI InChI=1S/C54H78N4O33/c1-78-6-7-79-19-8-20(55)28-21(9-19)58(54(77)57-28)10-17-2-4-18(5-3-17)47(76)56-29-30(65)48-80-22(11-59)41(29)86-49-36(71)31(66)43(24(13-61)81-49)88-51-38(73)33(68)45(26(15-63)83-51)90-53-40(75)35(70)46(27(16-64)85-53)91-52-39(74)34(69)44(25(14-62)84-52)89-50-37(72)32(67)42(87-48)23(12-60)82-50/h2-5,8-9,22-27,29-46,48-53,59-75H,6-7,10-16,55H2,1H3,(H,56,76)(H,57,77)/t22-,23-,24-,25-,26-,27-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-,53-/m1/s1
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n/an/an/an/a 57n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539347
PNG
(CHEMBL4639831)
Show SMILES [H][C@@]12O[C@H](CNC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C52H76N6O33/c1-78-6-7-79-51-56-42(53)23-43(57-51)58(52(77)55-23)9-15-2-4-16(5-3-15)44(76)54-8-17-36-24(64)30(70)45(80-17)87-37-18(10-59)82-47(32(72)26(37)66)89-39-20(12-61)84-49(34(74)28(39)68)91-41-22(14-63)85-50(35(75)29(41)69)90-40-21(13-62)83-48(33(73)27(40)67)88-38-19(11-60)81-46(86-36)31(71)25(38)65/h2-5,17-22,24-41,45-50,59-75H,6-14H2,1H3,(H,54,76)(H,55,77)(H2,53,56,57)/t17-,18-,19-,20-,21-,22-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,45-,46-,47-,48-,49-,50-/m1/s1
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n/an/an/an/a 71n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539346
PNG
(CHEMBL4641702)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16+,17+,18-,19-,20-,21-,25?,26+/m1/s1
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n/an/an/an/a 80n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539345
PNG
(CHEMBL4645661)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16-,17+,18-,19-,20-,21-,25?,26-/m1/s1
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n/an/an/an/a 99n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539352
PNG
(CHEMBL4636482)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CO)[C@@H](O[C@@]9([H])O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]9O)[C@@H](NC(=O)c1ccc(Cn9c(O)nc%10c(N)nc(OCCOC)nc9%10)cc1)[C@@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C64H96N6O43/c1-96-6-7-97-63-68-52(65)28-53(69-63)70(64(95)67-28)8-17-2-4-18(5-3-17)54(94)66-27-29(79)55-98-19(9-71)44(27)106-56-37(87)30(80)46(21(11-73)99-56)108-58-39(89)32(82)48(23(13-75)101-58)110-60-41(91)34(84)50(25(15-77)103-60)112-62-43(93)36(86)51(26(16-78)105-62)113-61-42(92)35(85)49(24(14-76)104-61)111-59-40(90)33(83)47(22(12-74)102-59)109-57-38(88)31(81)45(107-55)20(10-72)100-57/h2-5,19-27,29-51,55-62,71-93H,6-16H2,1H3,(H,66,94)(H,67,95)(H2,65,68,69)/t19-,20-,21-,22-,23-,24-,25-,26-,27+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
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n/an/an/an/a 107n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539349
PNG
(CHEMBL4636020)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CNC(=O)c9ccc(Cn%10c(O)nc%11c(N)nc(OCCOC)nc%10%11)cc9)[C@@H](O[C@@]9([H])O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C64H96N6O43/c1-96-6-7-97-63-68-52(65)27-53(69-63)70(64(95)67-27)9-17-2-4-18(5-3-17)54(94)66-8-19-44-28(78)36(86)55(98-19)107-45-20(10-71)100-57(38(88)30(45)80)109-47-22(12-73)102-59(40(90)32(47)82)111-49-24(14-75)104-61(42(92)34(49)84)113-51-26(16-77)105-62(43(93)35(51)85)112-50-25(15-76)103-60(41(91)33(50)83)110-48-23(13-74)101-58(39(89)31(48)81)108-46-21(11-72)99-56(106-44)37(87)29(46)79/h2-5,19-26,28-51,55-62,71-93H,6-16H2,1H3,(H,66,94)(H,67,95)(H2,65,68,69)/t19-,20-,21-,22-,23-,24-,25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
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n/an/an/an/a 108n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539346
PNG
(CHEMBL4641702)
Show SMILES [H][C@@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16+,17+,18-,19-,20-,21-,25?,26+/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539347
PNG
(CHEMBL4639831)
Show SMILES [H][C@@]12O[C@H](CNC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@@]([H])(O[C@H]3O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C52H76N6O33/c1-78-6-7-79-51-56-42(53)23-43(57-51)58(52(77)55-23)9-15-2-4-16(5-3-15)44(76)54-8-17-36-24(64)30(70)45(80-17)87-37-18(10-59)82-47(32(72)26(37)66)89-39-20(12-61)84-49(34(74)28(39)68)91-41-22(14-63)85-50(35(75)29(41)69)90-40-21(13-62)83-48(33(73)27(40)67)88-38-19(11-60)81-46(86-36)31(71)25(38)65/h2-5,17-22,24-41,45-50,59-75H,6-14H2,1H3,(H,54,76)(H,55,77)(H2,53,56,57)/t17-,18-,19-,20-,21-,22-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,45-,46-,47-,48-,49-,50-/m1/s1
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n/an/an/an/a 128n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189287
PNG
(CHEMBL3827413 | US9597326, Compound 11)
Show SMILES COc1ccc(CCc2cnc3c(N)nc4cc(CCP(O)(O)=O)ccc4c3c2)c(C)c1
Show InChI InChI=1S/C24H26N3O4P/c1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17/h4,6-8,11-14H,3,5,9-10H2,1-2H3,(H2,25,27)(H2,28,29,30)
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n/an/an/an/a 130n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539349
PNG
(CHEMBL4636020)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@H](O[C@@]4([H])O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@H](O[C@@]6([H])O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CNC(=O)c9ccc(Cn%10c(O)nc%11c(N)nc(OCCOC)nc%10%11)cc9)[C@@H](O[C@@]9([H])O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C64H96N6O43/c1-96-6-7-97-63-68-52(65)27-53(69-63)70(64(95)67-27)9-17-2-4-18(5-3-17)54(94)66-8-19-44-28(78)36(86)55(98-19)107-45-20(10-71)100-57(38(88)30(45)80)109-47-22(12-73)102-59(40(90)32(47)82)111-49-24(14-75)104-61(42(92)34(49)84)113-51-26(16-77)105-62(43(93)35(51)85)112-50-25(15-76)103-60(41(91)33(50)83)110-48-23(13-74)101-58(39(89)31(48)81)108-46-21(11-72)99-56(106-44)37(87)29(46)79/h2-5,19-26,28-51,55-62,71-93H,6-16H2,1H3,(H,66,94)(H,67,95)(H2,65,68,69)/t19-,20-,21-,22-,23-,24-,25-,26-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,55-,56-,57-,58-,59-,60-,61-,62-/m1/s1
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n/an/an/an/a 132n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539345
PNG
(CHEMBL4645661)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16-,17+,18-,19-,20-,21-,25?,26-/m1/s1
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n/an/an/an/a 136n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539341
PNG
(CHEMBL4632609)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3C(O)O[C@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-26-17(23)14-18(27-21)28(22(34)25-14)8-10-2-4-11(5-3-10)19(32)24-13-16(31)15(30)12(9-29)37-20(13)33/h2-5,12-13,15-16,20,29-31,33H,6-9H2,1H3,(H,24,32)(H,25,34)(H2,23,26,27)/t12-,13-,15+,16-,20?/m1/s1
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n/an/an/an/a 153n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539348
PNG
(CHEMBL4647802)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CNC(=O)c9ccc(Cn%10c(O)nc%11c(N)nc(OCCOC)nc%10%11)cc9)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C58H86N6O38/c1-87-6-7-88-57-62-47(59)25-48(63-57)64(58(86)61-25)9-16-2-4-17(5-3-16)49(85)60-8-18-40-26(71)33(78)50(89-18)97-41-19(10-65)91-52(35(80)28(41)73)99-43-21(12-67)93-54(37(82)30(43)75)101-45-23(14-69)95-56(39(84)32(45)77)102-46-24(15-70)94-55(38(83)31(46)76)100-44-22(13-68)92-53(36(81)29(44)74)98-42-20(11-66)90-51(96-40)34(79)27(42)72/h2-5,18-24,26-46,50-56,65-84H,6-15H2,1H3,(H,60,85)(H,61,86)(H2,59,62,63)/t18-,19-,20-,21-,22-,23-,24-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539350
PNG
(CHEMBL4635551)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](NC(=O)c1ccc(Cn3c(O)nc4c(N)cc(OCCOC)cc34)cc1)[C@@H]2O |r|
Show InChI InChI=1S/C54H78N4O33/c1-78-6-7-79-19-8-20(55)28-21(9-19)58(54(77)57-28)10-17-2-4-18(5-3-17)47(76)56-29-30(65)48-80-22(11-59)41(29)86-49-36(71)31(66)43(24(13-61)81-49)88-51-38(73)33(68)45(26(15-63)83-51)90-53-40(75)35(70)46(27(16-64)85-53)91-52-39(74)34(69)44(25(14-62)84-52)89-50-37(72)32(67)42(87-48)23(12-60)82-50/h2-5,8-9,22-27,29-46,48-53,59-75H,6-7,10-16,55H2,1H3,(H,56,76)(H,57,77)/t22-,23-,24-,25-,26-,27-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-,53-/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 6 h...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189181
PNG
(CHEMBL3828229 | US9597326, Compound 21)
Show SMILES Cc1cc(OCCOCCOCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
Show InChI InChI=1S/C30H36N3O8P/c1-20-16-24(41-13-12-39-10-11-40-14-15-42(36,37)38)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(34)35)18-27(25)33-30(31)29(26)32-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)
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n/an/an/an/a 190n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539342
PNG
(CHEMBL4641619)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16-,20?/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539341
PNG
(CHEMBL4632609)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3C(O)O[C@H](CO)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-26-17(23)14-18(27-21)28(22(34)25-14)8-10-2-4-11(5-3-10)19(32)24-13-16(31)15(30)12(9-29)37-20(13)33/h2-5,12-13,15-16,20,29-31,33H,6-9H2,1H3,(H,24,32)(H,25,34)(H2,23,26,27)/t12-,13-,15+,16-,20?/m1/s1
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n/an/an/an/a 210n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539342
PNG
(CHEMBL4641619)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16-,20?/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539340
PNG
(CHEMBL4640564)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-26-17(23)14-18(27-21)28(22(34)25-14)8-10-2-4-11(5-3-10)19(32)24-13-16(31)15(30)12(9-29)37-20(13)33/h2-5,12-13,15-16,20,29-31,33H,6-9H2,1H3,(H,24,32)(H,25,34)(H2,23,26,27)/t12-,13-,15-,16-,20?/m1/s1
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n/an/an/an/a 234n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539340
PNG
(CHEMBL4640564)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)N[C@H]3C(O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-26-17(23)14-18(27-21)28(22(34)25-14)8-10-2-4-11(5-3-10)19(32)24-13-16(31)15(30)12(9-29)37-20(13)33/h2-5,12-13,15-16,20,29-31,33H,6-9H2,1H3,(H,24,32)(H,25,34)(H2,23,26,27)/t12-,13-,15-,16-,20?/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539339
PNG
(CHEMBL4637769)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C16H17N5O5/c1-25-6-7-26-15-19-12(17)11-13(20-15)21(16(24)18-11)8-9-2-4-10(5-3-9)14(22)23/h2-5H,6-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)
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n/an/an/an/a 252n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539344
PNG
(CHEMBL4647035)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16+,20?/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539343
PNG
(CHEMBL4639099)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14+,15+,16-,20?/m1/s1
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n/an/an/an/a 258n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539345
PNG
(CHEMBL4645661)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16-,17+,18-,19-,20-,21-,25?,26-/m1/s1
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n/an/an/an/a 277n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 6 h...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539348
PNG
(CHEMBL4647802)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O[C@@]8([H])O[C@H](CNC(=O)c9ccc(Cn%10c(O)nc%11c(N)nc(OCCOC)nc%10%11)cc9)[C@@H](O1)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O |r|
Show InChI InChI=1S/C58H86N6O38/c1-87-6-7-88-57-62-47(59)25-48(63-57)64(58(86)61-25)9-16-2-4-17(5-3-16)49(85)60-8-18-40-26(71)33(78)50(89-18)97-41-19(10-65)91-52(35(80)28(41)73)99-43-21(12-67)93-54(37(82)30(43)75)101-45-23(14-69)95-56(39(84)32(45)77)102-46-24(15-70)94-55(38(83)31(46)76)100-44-22(13-68)92-53(36(81)29(44)74)98-42-20(11-66)90-51(96-40)34(79)27(42)72/h2-5,18-24,26-46,50-56,65-84H,6-15H2,1H3,(H,60,85)(H,61,86)(H2,59,62,63)/t18-,19-,20-,21-,22-,23-,24-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,50-,51-,52-,53-,54-,55-,56-/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539344
PNG
(CHEMBL4647035)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16+,20?/m1/s1
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n/an/an/an/a 303n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189282
PNG
(CHEMBL3828331 | US9597326, Compound 15)
Show SMILES Cc1cc(OCCCP(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
Show InChI InChI=1S/C27H30N3O6P/c1-17-13-21(36-11-2-12-37(33,34)35)8-7-20(17)6-3-19-14-23-22-9-4-18(5-10-25(31)32)15-24(22)30-27(28)26(23)29-16-19/h4,7-9,13-16H,2-3,5-6,10-12H2,1H3,(H2,28,30)(H,31,32)(H2,33,34,35)
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n/an/an/an/a 310n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539343
PNG
(CHEMBL4639099)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14+,15+,16-,20?/m1/s1
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n/an/an/an/a 316n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 18 ...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539339
PNG
(CHEMBL4637769)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C16H17N5O5/c1-25-6-7-26-15-19-12(17)11-13(20-15)21(16(24)18-11)8-9-2-4-10(5-3-9)14(22)23/h2-5H,6-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)
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n/an/an/an/a 434n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse BMDC cells assessed as immunostimulatory activity by measuring increase in IL6 secretion incubated for 18 hrs by EL...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539342
PNG
(CHEMBL4641619)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16-,20?/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 6 h...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189288
PNG
(CHEMBL3828701 | US9597326, Compound 12)
Show SMILES COc1ccc(CCc2cnc3c(N)nc4cc(\C=C(/F)P(O)(O)=O)ccc4c3c2)c(C)c1
Show InChI InChI=1S/C24H23FN3O4P/c1-14-9-18(32-2)7-6-17(14)5-3-16-10-20-19-8-4-15(12-22(25)33(29,30)31)11-21(19)28-24(26)23(20)27-13-16/h4,6-13H,3,5H2,1-2H3,(H2,26,28)(H2,29,30,31)/b22-12+
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n/an/an/an/a 570n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539345
PNG
(CHEMBL4645661)
Show SMILES [H][C@]1(O[C@@H]2[C@@H](CO)OC(NC(=O)c3ccc(Cn4c(O)nc5c(N)nc(OCCOC)nc45)cc3)[C@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C28H38N6O14/c1-44-6-7-45-27-31-22(29)15-23(32-27)34(28(43)30-15)8-11-2-4-12(5-3-11)24(42)33-25-19(40)18(39)21(14(10-36)46-25)48-26-20(41)17(38)16(37)13(9-35)47-26/h2-5,13-14,16-21,25-26,35-41H,6-10H2,1H3,(H,30,43)(H,33,42)(H2,29,31,32)/t13-,14-,16-,17+,18-,19-,20-,21-,25?,26-/m1/s1
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Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion preincubated with...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189283
PNG
(CHEMBL3828542 | US9597326, Compound 6)
Show SMILES Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCC(F)(F)P(O)(O)=O)cc3C)cc21
Show InChI InChI=1S/C29H34F2N3O6P/c1-19-3-8-24-25-17-21(18-33-27(25)28(32)34-26(24)15-19)4-5-22-6-7-23(16-20(22)2)40-14-13-39-12-11-38-10-9-29(30,31)41(35,36)37/h3,6-8,15-18H,4-5,9-14H2,1-2H3,(H2,32,34)(H2,35,36,37)
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Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539342
PNG
(CHEMBL4641619)
Show SMILES COCCOc1nc(N)c2nc(O)n(Cc3ccc(cc3)C(=O)NC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2n1 |r|
Show InChI InChI=1S/C22H28N6O9/c1-35-6-7-36-21-25-17(23)13-18(26-21)28(22(34)24-13)8-10-2-4-11(5-3-10)19(33)27-20-16(32)15(31)14(30)12(9-29)37-20/h2-5,12,14-16,20,29-32H,6-9H2,1H3,(H,24,34)(H,27,33)(H2,23,25,26)/t12-,14-,15+,16-,20?/m1/s1
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n/an/an/an/a 909n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion preincubated with...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539350
PNG
(CHEMBL4635551)
Show SMILES [H][C@@]12O[C@H](CO)[C@@H](O[C@@]3([H])O[C@H](CO)[C@@]([H])(O[C@H]4O[C@H](CO)[C@@]([H])(O[C@H]5O[C@H](CO)[C@@]([H])(O[C@H]6O[C@H](CO)[C@@]([H])(O[C@H]7O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](NC(=O)c1ccc(Cn3c(O)nc4c(N)cc(OCCOC)cc34)cc1)[C@@H]2O |r|
Show InChI InChI=1S/C54H78N4O33/c1-78-6-7-79-19-8-20(55)28-21(9-19)58(54(77)57-28)10-17-2-4-18(5-3-17)47(76)56-29-30(65)48-80-22(11-59)41(29)86-49-36(71)31(66)43(24(13-61)81-49)88-51-38(73)33(68)45(26(15-63)83-51)90-53-40(75)35(70)46(27(16-64)85-53)91-52-39(74)34(69)44(25(14-62)84-52)89-50-37(72)32(67)42(87-48)23(12-60)82-50/h2-5,8-9,22-27,29-46,48-53,59-75H,6-7,10-16,55H2,1H3,(H,56,76)(H,57,77)/t22-,23-,24-,25-,26-,27-,29+,30+,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,48-,49-,50-,51-,52-,53-/m1/s1
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n/an/an/an/a 1.06E+3n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion preincubated with...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189286
PNG
(CHEMBL3827244 | US9597326, Compound 1)
Show SMILES Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCP(O)(O)=O)cc3C)cc21
Show InChI InChI=1S/C25H28N3O4P/c1-16-4-9-21-22-14-18(15-27-24(22)25(26)28-23(21)12-16)5-6-19-7-8-20(13-17(19)2)32-10-3-11-33(29,30)31/h4,7-9,12-15H,3,5-6,10-11H2,1-2H3,(H2,26,28)(H2,29,30,31)
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n/an/an/an/a 1.10E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189180
PNG
(CHEMBL3827257 | US9597326, Compound 18)
Show SMILES Cc1cc(OCCOCCOCCC(F)(F)P(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
Show InChI InChI=1S/C31H36F2N3O8P/c1-20-16-24(44-15-14-43-13-12-42-11-10-31(32,33)45(39,40)41)7-6-23(20)5-2-22-17-26-25-8-3-21(4-9-28(37)38)18-27(25)36-30(34)29(26)35-19-22/h3,6-8,16-19H,2,4-5,9-15H2,1H3,(H2,34,36)(H,37,38)(H2,39,40,41)
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n/an/an/an/a 1.20E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539339
PNG
(CHEMBL4637769)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C16H17N5O5/c1-25-6-7-26-15-19-12(17)11-13(20-15)21(16(24)18-11)8-9-2-4-10(5-3-9)14(22)23/h2-5H,6-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)
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n/an/an/an/a 2.11E+3n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion preincubated with...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50539339
PNG
(CHEMBL4637769)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(O)=O)c2n1
Show InChI InChI=1S/C16H17N5O5/c1-25-6-7-26-15-19-12(17)11-13(20-15)21(16(24)18-11)8-9-2-4-10(5-3-9)14(22)23/h2-5H,6-8H2,1H3,(H,18,24)(H,22,23)(H2,17,19,20)
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n/an/an/an/a 2.15E+3n/an/an/an/a



Kagoshima University

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in mouse RAW264.7 cells assessed as immunostimulatory activity by measuring increase in TNFalpha secretion incubated for 6 h...


Bioorg Med Chem Lett 30: (2020)


Article DOI: 10.1016/j.bmcl.2019.126840
BindingDB Entry DOI: 10.7270/Q2QR51NJ
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189281
PNG
(CHEMBL3827669 | US9597326, Compound 16)
Show SMILES Cc1cc(OCCCC(F)(F)P(O)(O)=O)ccc1CCc1cnc2c(N)nc3cc(CCC(O)=O)ccc3c2c1
Show InChI InChI=1S/C28H30F2N3O6P/c1-17-13-21(39-12-2-11-28(29,30)40(36,37)38)8-7-20(17)6-3-19-14-23-22-9-4-18(5-10-25(34)35)15-24(22)33-27(31)26(23)32-16-19/h4,7-9,13-16H,2-3,5-6,10-12H2,1H3,(H2,31,33)(H,34,35)(H2,36,37,38)
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n/an/an/an/a 2.40E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189289
PNG
(CHEMBL3828519 | US9597326, Compound 10)
Show SMILES COc1ccc(CCc2cnc3c(N)nc4cc(\C=C\P(O)(O)=O)ccc4c3c2)c(C)c1
Show InChI InChI=1S/C24H24N3O4P/c1-15-11-19(31-2)7-6-18(15)5-3-17-12-21-20-8-4-16(9-10-32(28,29)30)13-22(20)27-24(25)23(21)26-14-17/h4,6-14H,3,5H2,1-2H3,(H2,25,27)(H2,28,29,30)/b10-9+
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n/an/an/an/a 2.50E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189285
PNG
(CHEMBL3828296 | US9597326, Compound 5)
Show SMILES Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCCC(F)(F)P(O)(O)=O)cc3C)cc21
Show InChI InChI=1S/C26H28F2N3O4P/c1-16-4-9-21-22-14-18(15-30-24(22)25(29)31-23(21)12-16)5-6-19-7-8-20(13-17(19)2)35-11-3-10-26(27,28)36(32,33)34/h4,7-9,12-15H,3,5-6,10-11H2,1-2H3,(H2,29,31)(H2,32,33,34)
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n/an/an/an/a 3.20E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189290
PNG
(CHEMBL3828149 | US9597326, Compound 9)
Show SMILES COc1ccc(CCc2cnc3c(N)nc4cc(ccc4c3c2)C(=O)C(F)(F)P(O)(O)=O)c(C)c1
Show InChI InChI=1S/C24H22F2N3O5P/c1-13-9-17(34-2)7-5-15(13)4-3-14-10-19-18-8-6-16(22(30)24(25,26)35(31,32)33)11-20(18)29-23(27)21(19)28-12-14/h5-12H,3-4H2,1-2H3,(H2,27,29)(H2,31,32,33)
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n/an/an/an/a 3.40E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189284
PNG
(CHEMBL3828386 | US9597326, Compound 27)
Show SMILES Cc1ccc2c(c1)nc(N)c1ncc(CCc3ccc(OCCOCCOCCP(O)(O)=O)cc3C)cc21
Show InChI InChI=1S/C28H34N3O6P/c1-19-3-8-24-25-17-21(18-30-27(25)28(29)31-26(24)15-19)4-5-22-6-7-23(16-20(22)2)37-12-11-35-9-10-36-13-14-38(32,33)34/h3,6-8,15-18H,4-5,9-14H2,1-2H3,(H2,29,31)(H2,32,33,34)
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n/an/an/an/a 3.60E+3n/an/an/an/a



Genomics Institute of Novartis Research Foundation

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in Balb/c mouse splenocytes assessed as induction of IL-6 secretion in supernatant after 18 hrs


J Med Chem 59: 5868-78 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00489
BindingDB Entry DOI: 10.7270/Q2JH3P4Z
More data for this
Ligand-Target Pair
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