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PubMed code 29152046

Compile data set for download or QSAR
Found 28 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 8


(Homo sapiens (Human))
BDBM50279619
PNG
(CHEMBL4162974)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCCN)C(=O)OC
Show InChI InChI=1S/C21H29N5O2/c1-3-4-8-17-25-18-19(26(17)12-7-5-6-11-22)15-10-9-14(21(27)28-2)13-16(15)24-20(18)23/h9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24)
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n/an/an/an/a 2.21E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279619
PNG
(CHEMBL4162974)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCCN)C(=O)OC
Show InChI InChI=1S/C21H29N5O2/c1-3-4-8-17-25-18-19(26(17)12-7-5-6-11-22)15-10-9-14(21(27)28-2)13-16(15)24-20(18)23/h9-10,13H,3-8,11-12,22H2,1-2H3,(H2,23,24)
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n/an/an/an/a 600n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279624
PNG
(CHEMBL4161998)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCSC)C(=O)OC
Show InChI InChI=1S/C20H26N4O2S/c1-4-5-7-16-23-17-18(24(16)10-6-11-27-3)14-9-8-13(20(25)26-2)12-15(14)22-19(17)21/h8-9,12H,4-7,10-11H2,1-3H3,(H2,21,22)
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n/an/an/an/a 3.84E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279604
PNG
(CHEMBL4163927)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCC(=O)OC)C(=O)OC
Show InChI InChI=1S/C21H26N4O4/c1-4-5-7-16-24-18-19(25(16)11-6-8-17(26)28-2)14-10-9-13(21(27)29-3)12-15(14)23-20(18)22/h9-10,12H,4-8,11H2,1-3H3,(H2,22,23)
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n/an/an/an/a 4.53E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 1.69E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279616
PNG
(CHEMBL4166427)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1Cc1ccc(cc1)C(O)=O)C(=O)OC
Show InChI InChI=1S/C24H24N4O4/c1-3-4-5-19-27-20-21(28(19)13-14-6-8-15(9-7-14)23(29)30)17-11-10-16(24(31)32-2)12-18(17)26-22(20)25/h6-12H,3-5,13H2,1-2H3,(H2,25,26)(H,29,30)
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n/an/an/an/a 1.90E+5n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279614
PNG
(CHEMBL4170901)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1Cc1ccc(CN)cc1)C(=O)OC
Show InChI InChI=1S/C24H27N5O2/c1-3-4-5-20-28-21-22(29(20)14-16-8-6-15(13-25)7-9-16)18-11-10-17(24(30)31-2)12-19(18)27-23(21)26/h6-12H,3-5,13-14,25H2,1-2H3,(H2,26,27)
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n/an/an/an/a 180n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 2.09E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279622
PNG
(CHEMBL4174580)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCC(=O)OC)C(=O)OC
Show InChI InChI=1S/C22H28N4O4/c1-4-5-8-17-25-19-20(26(17)12-7-6-9-18(27)29-2)15-11-10-14(22(28)30-3)13-16(15)24-21(19)23/h10-11,13H,4-9,12H2,1-3H3,(H2,23,24)
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n/an/an/an/a 1.74E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279623
PNG
(CHEMBL4165438)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(=O)OC)C(=O)OC
Show InChI InChI=1S/C19H22N4O4/c1-4-5-6-14-22-16-17(23(14)10-15(24)26-2)12-8-7-11(19(25)27-3)9-13(12)21-18(16)20/h7-9H,4-6,10H2,1-3H3,(H2,20,21)
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n/an/an/an/a 3.33E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 1.34E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 1.44E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 1.14E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 3.70E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 6.13E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279628
PNG
(CHEMBL4161057)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CC(C)OC(C)=O)C(=O)OC
Show InChI InChI=1S/C21H26N4O4/c1-5-6-7-17-24-18-19(25(17)11-12(2)29-13(3)26)15-9-8-14(21(27)28-4)10-16(15)23-20(18)22/h8-10,12H,5-7,11H2,1-4H3,(H2,22,23)
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n/an/an/an/a 3.06E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
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 9.88E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50279614
PNG
(CHEMBL4170901)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1Cc1ccc(CN)cc1)C(=O)OC
Show InChI InChI=1S/C24H27N5O2/c1-3-4-5-20-28-21-22(29(20)14-16-8-6-15(13-25)7-9-16)18-11-10-17(24(30)31-2)12-19(18)27-23(21)26/h6-12H,3-5,13-14,25H2,1-2H3,(H2,26,27)
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n/an/an/an/a 5.34E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279627
PNG
(CHEMBL4160925)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCO)C(=O)OC
Show InChI InChI=1S/C19H24N4O3/c1-3-4-6-15-22-16-17(23(15)9-5-10-24)13-8-7-12(19(25)26-2)11-14(13)21-18(16)20/h7-8,11,24H,3-6,9-10H2,1-2H3,(H2,20,21)
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n/an/an/an/a 1.72E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279630
PNG
(CHEMBL4164327)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCSC)C(=O)OC
Show InChI InChI=1S/C19H24N4O2S/c1-4-5-6-15-22-16-17(23(15)9-10-26-3)13-8-7-12(19(24)25-2)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 2.89E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50279620
PNG
(CHEMBL4162585)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCN)C(=O)OC
Show InChI InChI=1S/C20H27N5O2/c1-3-4-7-16-24-17-18(25(16)11-6-5-10-21)14-9-8-13(20(26)27-2)12-15(14)23-19(17)22/h8-9,12H,3-7,10-11,21H2,1-2H3,(H2,22,23)
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n/an/an/an/a 3.85E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279626
PNG
(CHEMBL4172215)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCO)C(=O)OC
Show InChI InChI=1S/C20H26N4O3/c1-3-4-7-16-23-17-18(24(16)10-5-6-11-25)14-9-8-13(20(26)27-2)12-15(14)22-19(17)21/h8-9,12,25H,3-7,10-11H2,1-2H3,(H2,21,22)
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n/an/an/an/a 3.21E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279637
PNG
(CHEMBL4169848)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCCCC(=O)OC)C(=O)OC
Show InChI InChI=1S/C23H30N4O4/c1-4-5-9-18-26-20-21(27(18)13-8-6-7-10-19(28)30-2)16-12-11-15(23(29)31-3)14-17(16)25-22(20)24/h11-12,14H,4-10,13H2,1-3H3,(H2,24,25)
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n/an/an/an/a 2.89E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279613
PNG
(CHEMBL4176050)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCC(=O)OC)C(=O)OC
Show InChI InChI=1S/C20H24N4O4/c1-4-5-6-15-23-17-18(24(15)10-9-16(25)27-2)13-8-7-12(20(26)28-3)11-14(13)22-19(17)21/h7-8,11H,4-6,9-10H2,1-3H3,(H2,21,22)
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n/an/an/an/a 3.64E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50279617
PNG
(CHEMBL4172654)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCSCC)C(=O)OC
Show InChI InChI=1S/C20H26N4O2S/c1-4-6-7-16-23-17-18(24(16)10-11-27-5-2)14-9-8-13(20(25)26-3)12-15(14)22-19(17)21/h8-9,12H,4-7,10-11H2,1-3H3,(H2,21,22)
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n/an/an/an/a 6.67E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
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 2.22E+3n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR7 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50279615
PNG
(CHEMBL4159198)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCN)C(=O)OC
Show InChI InChI=1S/C18H23N5O2/c1-3-4-5-14-22-15-16(23(14)9-8-19)12-7-6-11(18(24)25-2)10-13(12)21-17(15)20/h6-7,10H,3-5,8-9,19H2,1-2H3,(H2,20,21)
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n/an/an/an/a 4.98E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme).


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
Toll-like receptor 8


(Homo sapiens (Human))
BDBM50279621
PNG
(CHEMBL4173277)
Show SMILES CCCCc1nc2c(N)nc3cc(ccc3c2n1CCCN)C(=O)OC
Show InChI InChI=1S/C19H25N5O2/c1-3-4-6-15-23-16-17(24(15)10-5-9-20)13-8-7-12(19(25)26-2)11-14(13)22-18(16)21/h7-8,11H,3-6,9-10,20H2,1-2H3,(H2,21,22)
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n/an/an/an/a 2.67E+4n/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
Agonist activity at human TLR8 expressed in HEK cells after 8 to 12 hrs by NFkappaB/SEAP reporter gene assay


ACS Med Chem Lett 8: 1148-1152 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00256
BindingDB Entry DOI: 10.7270/Q2PV6NW7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%