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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Toll-like receptor 7' AND taxid = 10090   
Target
(Institution)
LigandTarget
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)
BDBM50425233
PNG
(CHEMBL549344)
Show SMILES CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
Show InChI InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
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n/an/an/an/a 6.22E+3n/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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189180
PNG
(CHEMBL3827257)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189291
PNG
(CHEMBL3827959)
Show SMILES COc1ccc(CCc2cnc3c(N)nc4cc(ccc4c3c2)C(=O)P(O)(O)=O)c(C)c1
Show InChI InChI=1S/C23H22N3O5P/c1-13-9-17(31-2)7-5-15(13)4-3-14-10-19-18-8-6-16(23(27)32(28,29)30)11-20(18)26-22(24)21(19)25-12-14/h5-12H,3-4H2,1-2H3,(H2,24,26)(H2,28,29,30)
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n/an/an/an/a 1.40E+4n/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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189290
PNG
(CHEMBL3828149)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189289
PNG
(CHEMBL3828519)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189288
PNG
(CHEMBL3828701)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189287
PNG
(CHEMBL3827413)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189286
PNG
(CHEMBL3827244)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189285
PNG
(CHEMBL3828296)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189284
PNG
(CHEMBL3828386)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189283
PNG
(CHEMBL3828542)
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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n/an/an/an/a 810n/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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189282
PNG
(CHEMBL3828331)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189281
PNG
(CHEMBL3827669)
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)

More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50189181
PNG
(CHEMBL3828229)
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)

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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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)

More data for this
Ligand-Target Pair