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PubMed code 22837811

Compile data set for download or QSAR
Found 12 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50320082
PNG
(1-(4-Amino-2-butyl-1H-imidazo-[4,5-c]quinolin-1-yl...)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Show InChI InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)
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n/an/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50320082
PNG
(1-(4-Amino-2-butyl-1H-imidazo-[4,5-c]quinolin-1-yl...)
Show SMILES CCCCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O
Show InChI InChI=1S/C18H24N4O/c1-4-5-10-14-21-15-16(22(14)11-18(2,3)23)12-8-6-7-9-13(12)20-17(15)19/h6-9,23H,4-5,10-11H2,1-3H3,(H2,19,20)
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n/an/an/an/a 100n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50240849
PNG
(1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-ami...)
Show SMILES CC(C)Cn1cnc2c(N)nc3ccccc3c12
Show InChI InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
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n/an/an/an/a>2.70E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50403024
PNG
(CHEMBL195276)
Show SMILES CC(C)(O)Cn1cnc2c(N)nc3ccccc3c12
Show InChI InChI=1S/C14H16N4O/c1-14(2,19)7-18-8-16-11-12(18)9-5-3-4-6-10(9)17-13(11)15/h3-6,8,19H,7H2,1-2H3,(H2,15,17)
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n/an/an/an/a 9.50E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50240849
PNG
(1-(2-methylpropyl)-1H-imidazo[4,5-c]quinolin-4-ami...)
Show SMILES CC(C)Cn1cnc2c(N)nc3ccccc3c12
Show InChI InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)
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n/an/an/an/a 1.21E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(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 6.40E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50403022
PNG
(CHEMBL2216760)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22)
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n/an/an/an/a 4.13E+4n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50403023
PNG
(CHEMBL2216759)
Show SMILES COC(=O)c1ccc2c3n(CC(C)(C)O)cnc3c(N)nc2c1
Show InChI InChI=1S/C16H18N4O3/c1-16(2,22)7-20-8-18-12-13(20)10-5-4-9(15(21)23-3)6-11(10)19-14(12)17/h4-6,8,22H,7H2,1-3H3,(H2,17,19)
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n/an/an/an/a>2.70E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50403022
PNG
(CHEMBL2216760)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C20H26N4O3/c1-5-6-7-15-23-16-17(24(15)11-20(2,3)26)13-9-8-12(19(25)27-4)10-14(13)22-18(16)21/h8-10,26H,5-7,11H2,1-4H3,(H2,21,22)
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n/an/an/an/a 1.20E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
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 1.40E+3n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50403024
PNG
(CHEMBL195276)
Show SMILES CC(C)(O)Cn1cnc2c(N)nc3ccccc3c12
Show InChI InChI=1S/C14H16N4O/c1-14(2,19)7-18-8-16-11-12(18)9-5-3-4-6-10(9)17-13(11)15/h3-6,8,19H,7H2,1-2H3,(H2,15,17)
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n/an/an/an/a>2.70E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50403023
PNG
(CHEMBL2216759)
Show SMILES COC(=O)c1ccc2c3n(CC(C)(C)O)cnc3c(N)nc2c1
Show InChI InChI=1S/C16H18N4O3/c1-16(2,22)7-20-8-18-12-13(20)10-5-4-9(15(21)23-3)6-11(10)19-14(12)17/h4-6,8,22H,7H2,1-3H3,(H2,17,19)
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n/an/an/an/a>2.70E+5n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 transfected in HEK cells assessed as NFkappaB induction after 24 hrs by specific secreted alkaline phosphatase gene as...


ACS Med Chem Lett 3: 501-504 (2012)


Article DOI: 10.1021/ml300079e
BindingDB Entry DOI: 10.7270/Q2FB544F
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%