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PubMed code 20232824

Compile data set for download or QSAR
Found 17 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315265
PNG
(CHEMBL1092654 | Methyl{5-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(OC)c(CC(=O)OC)c3)c2n1
Show InChI InChI=1S/C20H25N5O5/c1-4-5-8-30-19-23-17(21)16-18(24-19)25(20(27)22-16)11-12-6-7-14(28-2)13(9-12)10-15(26)29-3/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 8.10n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315264
PNG
(CHEMBL1089548 | Methyl 3-{3-[(6-amino-2-butoxy-8-o...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CCC(=O)OC)c3)c2n1
Show InChI InChI=1S/C20H25N5O4/c1-3-4-10-29-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-7-5-6-13(11-14)8-9-15(26)28-2/h5-7,11H,3-4,8-10,12H2,1-2H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 87.5n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50315256
PNG
(CHEMBL1089224 | Methyl{3-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1
Show InChI InChI=1S/C19H23N5O4/c1-3-4-8-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-6-12(9-13)10-14(25)27-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at TLR8


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50241029
PNG
(1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quino...)
Show SMILES CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Show InChI InChI=1S/C17H22N4O2/c1-4-23-9-13-20-14-15(21(13)10-17(2,3)22)11-7-5-6-8-12(11)19-16(14)18/h5-8,22H,4,9-10H2,1-3H3,(H2,18,19)
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n/an/an/an/a 260n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315269
PNG
(CHEMBL1089517 | Methyl{3-[(6-amino-2-methoxyethoxy...)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1
Show InChI InChI=1S/C18H21N5O5/c1-26-6-7-28-17-21-15(19)14-16(22-17)23(18(25)20-14)10-12-5-3-4-11(8-12)9-13(24)27-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)
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n/an/an/an/a 312n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315260
PNG
(CHEMBL1090529 | Methyl 4-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)C(=O)OC)c2n1
Show InChI InChI=1S/C18H21N5O4/c1-3-4-9-27-17-21-14(19)13-15(22-17)23(18(25)20-13)10-11-5-7-12(8-6-11)16(24)26-2/h5-8H,3-4,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)
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n/an/an/an/a 72.9n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315268
PNG
(CHEMBL1093467 | Ethyl{3-[(6-amino-2-butoxy-8-oxo-7...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OCC)c3)c2n1
Show InChI InChI=1S/C20H25N5O4/c1-3-5-9-29-19-23-17(21)16-18(24-19)25(20(27)22-16)12-14-8-6-7-13(10-14)11-15(26)28-4-2/h6-8,10H,3-5,9,11-12H2,1-2H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 188n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315262
PNG
(CHEMBL1089225 | Methyl{4-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(CC(=O)OC)cc3)c2n1
Show InChI InChI=1S/C19H23N5O4/c1-3-4-9-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-12(6-8-13)10-14(25)27-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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n/an/an/an/a 10.3n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315266
PNG
(CHEMBL1092655 | Methyl{3-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cc(CC(=O)OC)ccc3OC)c2n1
Show InChI InChI=1S/C20H25N5O5/c1-4-5-8-30-19-23-17(21)16-18(24-19)25(20(27)22-16)11-13-9-12(10-15(26)29-3)6-7-14(13)28-2/h6-7,9H,4-5,8,10-11H2,1-3H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 108n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315257
PNG
(6-Amino-9-benzyl-2-butoxy-9H-purin-8-ol | 6-amino-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)
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Article
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n/an/an/an/a 63.7n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315258
PNG
(CHEMBL1089862 | Methyl 2-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3C(=O)OC)c2n1
Show InChI InChI=1S/C18H21N5O4/c1-3-4-9-27-17-21-14(19)13-15(22-17)23(18(25)20-13)10-11-7-5-6-8-12(11)16(24)26-2/h5-8H,3-4,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)
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n/an/an/an/a 609n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315261
PNG
(CHEMBL1089220 | Methyl{2-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3CC(=O)OC)c2n1
Show InChI InChI=1S/C19H23N5O4/c1-3-4-9-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-8-6-5-7-12(13)10-14(25)27-2/h5-8H,3-4,9-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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n/an/an/an/a 467n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315256
PNG
(CHEMBL1089224 | Methyl{3-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1
Show InChI InChI=1S/C19H23N5O4/c1-3-4-8-28-18-22-16(20)15-17(23-18)24(19(26)21-15)11-13-7-5-6-12(9-13)10-14(25)27-2/h5-7,9H,3-4,8,10-11H2,1-2H3,(H,21,26)(H2,20,22,23)
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n/an/an/an/a 50.1n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315267
PNG
(CHEMBL1093466 | Methyl{5-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3ccc(F)c(CC(=O)OC)c3)c2n1
Show InChI InChI=1S/C19H22FN5O4/c1-3-4-7-29-18-23-16(21)15-17(24-18)25(19(27)22-15)10-11-5-6-13(20)12(8-11)9-14(26)28-2/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 25.7n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315259
PNG
(CHEMBL1089863 | Methyl 3-[(6-amino-2-butoxy-8-oxo-...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)C(=O)OC)c2n1
Show InChI InChI=1S/C18H21N5O4/c1-3-4-8-27-17-21-14(19)13-15(22-17)23(18(25)20-13)10-11-6-5-7-12(9-11)16(24)26-2/h5-7,9H,3-4,8,10H2,1-2H3,(H,20,25)(H2,19,21,22)
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n/an/an/an/a 51.5n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50315263
PNG
(CHEMBL1089226 | Methyl l 2-{3-[(6-amino-2-butoxy-8...)
Show SMILES CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)C(C)C(=O)OC)c2n1
Show InChI InChI=1S/C20H25N5O4/c1-4-5-9-29-19-23-16(21)15-17(24-19)25(20(27)22-15)11-13-7-6-8-14(10-13)12(2)18(26)28-3/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,22,27)(H2,21,23,24)
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n/an/an/an/a 75n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50189516
PNG
(6-amino-9-benzyl-2-(2-methoxyethoxy)-7H-purin-8(9H...)
Show SMILES COCCOc1nc(N)c2[nH]c(=O)n(Cc3ccccc3)c2n1
Show InChI InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
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n/an/an/an/a 399n/an/an/an/a



Dainippon Sumitomo Pharma Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK293 cells coexpressing pNiFty2-SEAP reporter by reporter gene assay


J Med Chem 53: 2964-72 (2010)


Article DOI: 10.1021/jm100070n
BindingDB Entry DOI: 10.7270/Q20P1054
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%