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Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'ohlfest' and Initial = 'jr'   
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 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))		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 1.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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))		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))		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))		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))		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))		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))		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 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))		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 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 7


(Homo sapiens (Human))		BDBM50279629
PNG
(CHEMBL3116322)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)O)C(=O)OC
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50495692
PNG
(CHEMBL3116320)
Show SMILES CCCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23)
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n/an/an/an/a 7.20E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495692
PNG
(CHEMBL3116320)
Show SMILES CCCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C21H28N4O3/c1-5-6-7-8-16-24-17-18(25(16)12-21(2,3)27)14-10-9-13(20(26)28-4)11-15(14)23-19(17)22/h9-11,27H,5-8,12H2,1-4H3,(H2,22,23)
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n/an/an/an/a 2.60E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
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 4.96E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
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 1.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495693
PNG
(CHEMBL3116318)
Show SMILES CCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C18H22N4O3/c1-5-13-21-14-15(22(13)9-18(2,3)24)11-7-6-10(17(23)25-4)8-12(11)20-16(14)19/h6-8,24H,5,9H2,1-4H3,(H2,19,20)
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n/an/an/an/a 2.91E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
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 4.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495694
PNG
(CHEMBL3116316)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCOC)C(=O)OC
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)9-10-25-2)13-8-7-12(19(24)26-3)11-14(13)21-18(16)20/h7-8,11H,4-6,9-10H2,1-3H3,(H2,20,21)
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n/an/an/an/a 5.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495695
PNG
(CHEMBL3116315)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCOCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26/h5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27)
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n/an/an/an/a 2.42E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50279618
PNG
(CHEMBL3116325)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCO)C(=O)OC
Show InChI InChI=1S/C18H22N4O3/c1-3-4-5-14-21-15-16(22(14)8-9-23)12-7-6-11(18(24)25-2)10-13(12)20-17(15)19/h6-7,10,23H,3-5,8-9H2,1-2H3,(H2,19,20)
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n/an/an/an/a 4.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50495696
PNG
(CHEMBL3116324)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1C[C@@H](C)O)C(=O)OC |r|
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m1/s1
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n/an/an/an/a 1.50E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495696
PNG
(CHEMBL3116324)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1C[C@@H](C)O)C(=O)OC |r|
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m1/s1
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n/an/an/an/a 4.40E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50495697
PNG
(CHEMBL3116323)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1C[C@H](C)O)C(=O)OC |r|
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1
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n/an/an/an/a 2.70E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50279629
PNG
(CHEMBL3116322)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)O)C(=O)OC
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)
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n/an/an/an/a 4.90E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50279618
PNG
(CHEMBL3116325)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCO)C(=O)OC
Show InChI InChI=1S/C18H22N4O3/c1-3-4-5-14-21-15-16(22(14)8-9-23)12-7-6-11(18(24)25-2)10-13(12)20-17(15)19/h6-7,10,23H,3-5,8-9H2,1-2H3,(H2,19,20)
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n/an/an/an/a 2.30E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495698
PNG
(CHEMBL3116321)
Show SMILES COC(=O)c1ccc2c3n(CC(C)(C)O)c(Cc4ccccc4)nc3c(N)nc2c1
Show InChI InChI=1S/C23H24N4O3/c1-23(2,29)13-27-18(11-14-7-5-4-6-8-14)26-19-20(27)16-10-9-15(22(28)30-3)12-17(16)25-21(19)24/h4-10,12,29H,11,13H2,1-3H3,(H2,24,25)
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n/an/an/an/a 4.80E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495699
PNG
(CHEMBL3116319)
Show SMILES CCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)(C)O)C(=O)OC
Show InChI InChI=1S/C19H24N4O3/c1-5-6-14-22-15-16(23(14)10-19(2,3)25)12-8-7-11(18(24)26-4)9-13(12)21-17(15)20/h7-9,25H,5-6,10H2,1-4H3,(H2,20,21)
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n/an/an/an/a 2.38E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495700
PNG
(CHEMBL3116317)
Show SMILES COC(=O)c1ccc2c3n(CC(C)(C)O)c(C)nc3c(N)nc2c1
Show InChI InChI=1S/C17H20N4O3/c1-9-19-13-14(21(9)8-17(2,3)23)11-6-5-10(16(22)24-4)7-12(11)20-15(13)18/h5-7,23H,8H2,1-4H3,(H2,18,20)
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n/an/an/an/a 4.92E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))		BDBM50495697
PNG
(CHEMBL3116323)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1C[C@H](C)O)C(=O)OC |r|
Show InChI InChI=1S/C19H24N4O3/c1-4-5-6-15-22-16-17(23(15)10-11(2)24)13-8-7-12(19(25)26-3)9-14(13)21-18(16)20/h7-9,11,24H,4-6,10H2,1-3H3,(H2,20,21)/t11-/m0/s1
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n/an/an/an/a 2.90E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
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 1.07E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-7 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Toll-like receptor 8


(Homo sapiens (Human))		BDBM50495695
PNG
(CHEMBL3116315)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCOCc1ccccc1)C(=O)OC
Show InChI InChI=1S/C25H28N4O3/c1-3-4-10-21-28-22-23(29(21)13-14-32-16-17-8-6-5-7-9-17)19-12-11-18(25(30)31-2)15-20(19)27-24(22)26/h5-9,11-12,15H,3-4,10,13-14,16H2,1-2H3,(H2,26,27)
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n/an/an/an/a 3.10E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR-8 expressed in HEK293 cells after 24 hrs by SEAP reporter gene assay

J Med Chem 57: 339-47 (2014)


Article DOI: 10.1021/jm4004957
BindingDB Entry DOI: 10.7270/Q20Z767J
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