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PubMed code 21885277

Compile data set for download or QSAR
Found 34 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))
BDBM50354927
PNG
(CHEMBL1836888)
Show SMILES COCCN1CCN(CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C20H24F3N7O2/c1-32-9-8-28-4-6-29(7-5-28)16-3-2-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h2-3,10-11H,4-9,12H2,1H3,(H2,24,26)(H,27,31)
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n/an/an/an/a 4.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354948
PNG
(CHEMBL1836891)
Show SMILES CCN(CC)CCN(C)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C20H26F3N7O/c1-4-29(5-2)9-8-28(3)16-7-6-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h6-7,10-11H,4-5,8-9,12H2,1-3H3,(H2,24,26)(H,27,31)
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n/an/an/an/a 1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354932
PNG
(CHEMBL1836882)
Show SMILES CN(C)CCOc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C17H19F3N6O2/c1-25(2)5-6-28-13-4-3-10(8-22-13)9-26-11-7-12(17(18,19)20)23-15(21)14(11)24-16(26)27/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,23)(H,24,27)
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n/an/an/an/a 26.9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354934
PNG
(CHEMBL1836895)
Show SMILES Nc1nc(cc2n(Cc3ccc(NCc4ccccc4)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C20H17F3N6O/c21-20(22,23)15-8-14-17(18(24)27-15)28-19(30)29(14)11-13-6-7-16(26-10-13)25-9-12-4-2-1-3-5-12/h1-8,10H,9,11H2,(H2,24,27)(H,25,26)(H,28,30)
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n/an/an/an/a 31n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354938
PNG
(CHEMBL1837070)
Show SMILES COCCNc1cc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C16H17F3N6O2/c1-27-5-4-22-12-6-9(2-3-21-12)8-25-10-7-11(16(17,18)19)23-14(20)13(10)24-15(25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26)
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n/an/an/an/a 105n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354920
PNG
(CHEMBL1836892)
Show SMILES CN(CCN1CCN(C)CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C21H27F3N8O/c1-29-5-8-31(9-6-29)10-7-30(2)17-4-3-14(12-26-17)13-32-15-11-16(21(22,23)24)27-19(25)18(15)28-20(32)33/h3-4,11-12H,5-10,13H2,1-2H3,(H2,25,27)(H,28,33)
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n/an/an/an/a 0.400n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354921
PNG
(CHEMBL1836889)
Show SMILES CN(C)CCN1CCN(CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C21H27F3N8O/c1-29(2)5-6-30-7-9-31(10-8-30)17-4-3-14(12-26-17)13-32-15-11-16(21(22,23)24)27-19(25)18(15)28-20(32)33/h3-4,11-12H,5-10,13H2,1-2H3,(H2,25,27)(H,28,33)
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n/an/an/an/a 1.5n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354925
PNG
(CHEMBL1837074)
Show SMILES Nc1nc(cc2n(Cc3ccnc(c3)N3CCC[C@H]3CN3CCCC3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O/c23-22(24,25)17-11-16-19(20(26)28-17)29-21(33)32(16)12-14-5-6-27-18(10-14)31-9-3-4-15(31)13-30-7-1-2-8-30/h5-6,10-11,15H,1-4,7-9,12-13H2,(H2,26,28)(H,29,33)/t15-/m0/s1
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n/an/an/an/a 2.30n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354931
PNG
(CHEMBL1836880)
Show SMILES CN1CCN(CC2CCCN2c2ccc(Cn3c4cc(nc(N)c4[nH]c3=O)C(F)(F)F)cn2)CC1
Show InChI InChI=1S/C23H29F3N8O/c1-31-7-9-32(10-8-31)14-16-3-2-6-33(16)19-5-4-15(12-28-19)13-34-17-11-18(23(24,25)26)29-21(27)20(17)30-22(34)35/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H2,27,29)(H,30,35)
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n/an/an/an/a 9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354933
PNG
(CHEMBL1837075)
Show SMILES COCCNc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C16H17F3N6O2/c1-27-5-4-21-12-3-2-9(7-22-12)8-25-10-6-11(16(17,18)19)23-14(20)13(10)24-15(25)26/h2-3,6-7H,4-5,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26)
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n/an/an/an/a 28.6n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354939
PNG
(CHEMBL1837063)
Show SMILES Nc1nc(cc2n(Cc3cccnc3OCCN3CCCC3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-10-13-15(16(23)25-14)26-18(29)28(13)11-12-4-3-5-24-17(12)30-9-8-27-6-1-2-7-27/h3-5,10H,1-2,6-9,11H2,(H2,23,25)(H,26,29)
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n/an/an/an/a 121n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354945
PNG
(CHEMBL1837067)
Show SMILES CN1CCN(CC2CCCN2c2ncccc2Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)CC1
Show InChI InChI=1S/C23H29F3N8O/c1-31-8-10-32(11-9-31)14-16-5-3-7-33(16)21-15(4-2-6-28-21)13-34-17-12-18(23(24,25)26)29-20(27)19(17)30-22(34)35/h2,4,6,12,16H,3,5,7-11,13-14H2,1H3,(H2,27,29)(H,30,35)
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n/an/an/an/a 2.61E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354935
PNG
(CHEMBL1836896)
Show SMILES Nc1nc(cc2n(Cc3ccc(nc3)N3CCOCC3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C17H17F3N6O2/c18-17(19,20)12-7-11-14(15(21)23-12)24-16(27)26(11)9-10-1-2-13(22-8-10)25-3-5-28-6-4-25/h1-2,7-8H,3-6,9H2,(H2,21,23)(H,24,27)
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n/an/an/an/a 32.1n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354943
PNG
(CHEMBL1837068)
Show SMILES Nc1nc(cc2n(Cc3cccnc3N3CCC[C@H]3CN3CCCC3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O/c23-22(24,25)17-11-16-18(19(26)28-17)29-21(33)32(16)12-14-5-3-7-27-20(14)31-10-4-6-15(31)13-30-8-1-2-9-30/h3,5,7,11,15H,1-2,4,6,8-10,12-13H2,(H2,26,28)(H,29,33)/t15-/m0/s1
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n/an/an/an/a 920n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354949
PNG
(CHEMBL1837073)
Show SMILES CN1CCN(CC2CCCN2c2cc(Cn3c4cc(nc(N)c4[nH]c3=O)C(F)(F)F)ccn2)CC1
Show InChI InChI=1S/C23H29F3N8O/c1-31-7-9-32(10-8-31)14-16-3-2-6-33(16)19-11-15(4-5-28-19)13-34-17-12-18(23(24,25)26)29-21(27)20(17)30-22(34)35/h4-5,11-12,16H,2-3,6-10,13-14H2,1H3,(H2,27,29)(H,30,35)
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n/an/an/an/a 55.4n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354923
PNG
(CHEMBL1836881)
Show SMILES Nc1nc(cc2n(Cc3ccc(nc3)N3CCC[C@H]3CN3CCCC3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C22H26F3N7O/c23-22(24,25)17-10-16-19(20(26)28-17)29-21(33)32(16)12-14-5-6-18(27-11-14)31-9-3-4-15(31)13-30-7-1-2-8-30/h5-6,10-11,15H,1-4,7-9,12-13H2,(H2,26,28)(H,29,33)/t15-/m0/s1
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n/an/an/an/a 1.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354924
PNG
(CHEMBL1836885)
Show SMILES Nc1nc(cc2n(Cc3ccc(NCCN4CCCC4)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C19H22F3N7O/c20-19(21,22)14-9-13-16(17(23)26-14)27-18(30)29(13)11-12-3-4-15(25-10-12)24-5-8-28-6-1-2-7-28/h3-4,9-10H,1-2,5-8,11H2,(H2,23,26)(H,24,25)(H,27,30)
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n/an/an/an/a 1.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354936
PNG
(CHEMBL1837072)
Show SMILES COCCN1CCN(CC1)c1cc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C20H24F3N7O2/c1-32-9-8-28-4-6-29(7-5-28)16-10-13(2-3-25-16)12-30-14-11-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h2-3,10-11H,4-9,12H2,1H3,(H2,24,26)(H,27,31)
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n/an/an/an/a 45.8n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354927
PNG
(CHEMBL1836888)
Show SMILES COCCN1CCN(CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C20H24F3N7O2/c1-32-9-8-28-4-6-29(7-5-28)16-3-2-13(11-25-16)12-30-14-10-15(20(21,22)23)26-18(24)17(14)27-19(30)31/h2-3,10-11H,4-9,12H2,1H3,(H2,24,26)(H,27,31)
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n/an/an/an/a 4.10n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354928
PNG
(CHEMBL1836883)
Show SMILES CN(C)CCNc1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C17H20F3N7O/c1-26(2)6-5-22-13-4-3-10(8-23-13)9-27-11-7-12(17(18,19)20)24-15(21)14(11)25-16(27)28/h3-4,7-8H,5-6,9H2,1-2H3,(H2,21,24)(H,22,23)(H,25,28)
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n/an/an/an/a 6.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354944
PNG
(CHEMBL1837066)
Show SMILES COCCN1CCN(CC1)c1ncccc1Cn1c2cc(nc(N)c2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C20H24F3N7O2/c1-32-10-9-28-5-7-29(8-6-28)18-13(3-2-4-25-18)12-30-14-11-15(20(21,22)23)26-17(24)16(14)27-19(30)31/h2-4,11H,5-10,12H2,1H3,(H2,24,26)(H,27,31)
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n/an/an/an/a 1.78E+3n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354930
PNG
(CHEMBL1836884)
Show SMILES Nc1nc(cc2n(Cc3ccc(OCCN4CCCC4)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-9-13-16(17(23)25-14)26-18(29)28(13)11-12-3-4-15(24-10-12)30-8-7-27-5-1-2-6-27/h3-4,9-10H,1-2,5-8,11H2,(H2,23,25)(H,26,29)
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n/an/an/an/a 6.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354947
PNG
(CHEMBL1837069)
Show SMILES Nc1nc(cc2n(Cc3ccnc(OCCN4CCCC4)c3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-10-13-16(17(23)25-14)26-18(29)28(13)11-12-3-4-24-15(9-12)30-8-7-27-5-1-2-6-27/h3-4,9-10H,1-2,5-8,11H2,(H2,23,25)(H,26,29)
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n/an/an/an/a 81.9n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354919
PNG
(CHEMBL1836893)
Show SMILES Nc1nc(cc2n(Cc3ccc(NCCN4CCCCC4)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C20H24F3N7O/c21-20(22,23)15-10-14-17(18(24)27-15)28-19(31)30(14)12-13-4-5-16(26-11-13)25-6-9-29-7-2-1-3-8-29/h4-5,10-11H,1-3,6-9,12H2,(H2,24,27)(H,25,26)(H,28,31)
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n/an/an/an/a 0.200n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354930
PNG
(CHEMBL1836884)
Show SMILES Nc1nc(cc2n(Cc3ccc(OCCN4CCCC4)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C19H21F3N6O2/c20-19(21,22)14-9-13-16(17(23)25-14)26-18(29)28(13)11-12-3-4-15(24-10-12)30-8-7-27-5-1-2-6-27/h3-4,9-10H,1-2,5-8,11H2,(H2,23,25)(H,26,29)
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n/an/an/an/a 6.90n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354937
PNG
(CHEMBL1837071)
Show SMILES COCCCN1CCN(CC1)c1cc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)ccn1
Show InChI InChI=1S/C21H26F3N7O2/c1-33-10-2-5-29-6-8-30(9-7-29)17-11-14(3-4-26-17)13-31-15-12-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h3-4,11-12H,2,5-10,13H2,1H3,(H2,25,27)(H,28,32)
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n/an/an/an/a 47n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50340234
PNG
(4-amino-1-benzyl-6-(trifluoromethyl)-1H-imidazo[4,...)
Show SMILES Nc1nc(cc2n(Cc3ccccc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C14H11F3N4O/c15-14(16,17)10-6-9-11(12(18)19-10)20-13(22)21(9)7-8-4-2-1-3-5-8/h1-6H,7H2,(H2,18,19)(H,20,22)
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n/an/an/an/a 269n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354922
PNG
(CHEMBL1836890)
Show SMILES CN(CCN1CCCCC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C21H26F3N7O/c1-29(9-10-30-7-3-2-4-8-30)17-6-5-14(12-26-17)13-31-15-11-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h5-6,11-12H,2-4,7-10,13H2,1H3,(H2,25,27)(H,28,32)
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n/an/an/an/a 1.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354926
PNG
(CHEMBL1836887)
Show SMILES CN1CCN(CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C18H20F3N7O/c1-26-4-6-27(7-5-26)14-3-2-11(9-23-14)10-28-12-8-13(18(19,20)21)24-16(22)15(12)25-17(28)29/h2-3,8-9H,4-7,10H2,1H3,(H2,22,24)(H,25,29)
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n/an/an/an/a 2.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354940
PNG
(CHEMBL1836894)
Show SMILES Nc1nc(cc2n(Cc3ccc(NCCO)nc3)c(=O)[nH]c12)C(F)(F)F
Show InChI InChI=1S/C15H15F3N6O2/c16-15(17,18)10-5-9-12(13(19)22-10)23-14(26)24(9)7-8-1-2-11(21-6-8)20-3-4-25/h1-2,5-6,25H,3-4,7H2,(H2,19,22)(H,20,21)(H,23,26)
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n/an/an/an/a 121n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354942
PNG
(CHEMBL1837065)
Show SMILES COCCCN1CCN(CC1)c1ncccc1Cn1c2cc(nc(N)c2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C21H26F3N7O2/c1-33-11-3-6-29-7-9-30(10-8-29)19-14(4-2-5-26-19)13-31-15-12-16(21(22,23)24)27-18(25)17(15)28-20(31)32/h2,4-5,12H,3,6-11,13H2,1H3,(H2,25,27)(H,28,32)
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n/an/an/an/a 586n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354941
PNG
(CHEMBL1837064)
Show SMILES COCCNc1ncccc1Cn1c2cc(nc(N)c2[nH]c1=O)C(F)(F)F
Show InChI InChI=1S/C16H17F3N6O2/c1-27-6-5-22-14-9(3-2-4-21-14)8-25-10-7-11(16(17,18)19)23-13(20)12(10)24-15(25)26/h2-4,7H,5-6,8H2,1H3,(H2,20,23)(H,21,22)(H,24,26)
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n/an/an/an/a 125n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354946
PNG
(CHEMBL1836879)
Show SMILES COCCCN1CCN(CC1)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C21H26F3N7O2/c1-33-10-2-5-29-6-8-30(9-7-29)17-4-3-14(12-26-17)13-31-15-11-16(21(22,23)24)27-19(25)18(15)28-20(31)32/h3-4,11-12H,2,5-10,13H2,1H3,(H2,25,27)(H,28,32)
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n/an/an/an/a 2.70n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7 in human PBMC assessed as induction of type 1 interferon production


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50354929
PNG
(CHEMBL1836886)
Show SMILES CN(C)CCN(C)c1ccc(Cn2c3cc(nc(N)c3[nH]c2=O)C(F)(F)F)cn1
Show InChI InChI=1S/C18H22F3N7O/c1-26(2)6-7-27(3)14-5-4-11(9-23-14)10-28-12-8-13(18(19,20)21)24-16(22)15(12)25-17(28)29/h4-5,8-9H,6-7,10H2,1-3H3,(H2,22,24)(H,25,29)
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n/an/an/an/a 6.60n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at TLR7


Bioorg Med Chem Lett 21: 5939-43 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.076
BindingDB Entry DOI: 10.7270/Q2PK0GJN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%