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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'shinchi' and Initial = 'h'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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)
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)
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)
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 230n/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)
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)
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 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)
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)
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)
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)
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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n/an/an/an/a 287n/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 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)
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)
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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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)
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)
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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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 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)
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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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)
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 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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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 110n/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)
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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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)
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)
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)
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)
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)
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)
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 490n/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)
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)
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 186n/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)
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)
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)
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 585n/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)
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