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Compile Data Set for Download or QSAR

Found 43 hits from Dainippon Sumitomo Pharma. Co., Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H1 receptor


(Homo sapiens (human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES CN1CCC(CC1)=C1c2ccsc2C(=O)Cc2ccccc12
Show InChI InChI=1S/C19H19NOS/c1-20-9-6-13(7-10-20)18-15-5-3-2-4-14(15)12-17(21)19-16(18)8-11-22-19/h2-5,8,11H,6-7,9-10,12H2,1H3
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n/an/a 1n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50295709
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-20-6-3-4-7-22(20)37-23-9-8-19(16-21(23)32)17-26(34)35/h3-4,6-9,16,18H,5,10-15,17H2,1-2H3,(H,34,35)
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n/an/a 40n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343578
PNG
(5-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-22-8-4-3-7-21(22)19-38-24-10-9-20(27(35)36)17-23(24)33/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,35,36)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343589
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C30H37N5O4/c1-31-27(21-28(36)32(2)30(31)39)34-15-5-13-33(17-18-34)14-6-16-35-25-8-4-3-7-23(25)11-12-24-10-9-22(19-26(24)35)20-29(37)38/h3-4,7-10,19,21H,5-6,11-18,20H2,1-2H3,(H,37,38)
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n/an/a 54n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343583
PNG
((Z)-11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-6-13-32(15-16-33)12-5-9-23-22-8-4-3-7-21(22)19-38-25-11-10-20(28(35)36)17-24(23)25/h3-4,7-11,17-18H,5-6,12-16,19H2,1-2H3,(H,35,36)/b23-9-
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n/an/a 63n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343572
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C29H35N5O4/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-24-8-4-3-7-21(24)9-10-22-11-12-23(28(36)37)19-25(22)34/h3-4,7-8,11-12,19-20H,5-6,9-10,13-18H2,1-2H3,(H,36,37)
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n/an/a 70n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343588
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3CCc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C32H41N5O4/c1-32(2,30(39)40)25-14-13-24-12-11-23-9-5-6-10-26(23)37(27(24)21-25)18-8-16-35-15-7-17-36(20-19-35)28-22-29(38)34(4)31(41)33(28)3/h5-6,9-10,13-14,21-22H,7-8,11-12,15-20H2,1-4H3,(H,39,40)
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n/an/a 75n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM22874
PNG
(2-(4-{1-hydroxy-4-[4-(hydroxydiphenylmethyl)piperi...)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C32H39NO4/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36)
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n/an/a 78n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343587
PNG
((Z)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-te...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-12-32(13-15-33)11-5-8-23-22-7-4-3-6-21(22)19-38-25-10-9-20(16-24(23)25)17-28(35)36/h3-4,6-10,16,18H,5,11-15,17,19H2,1-2H3,(H,35,36)/b23-8-
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n/an/a 84n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343585
PNG
((Z)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-te...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C30H34N4O5/c1-31-27(19-28(35)32(2)30(31)38)34-14-6-13-33(15-16-34)12-5-9-24-23-8-4-3-7-22(23)20-39-26-11-10-21(17-25(24)26)18-29(36)37/h3-4,7-11,17,19H,5-6,12-16,18,20H2,1-2H3,(H,36,37)/b24-9-
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n/an/a 92n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343575
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES CC(C(O)=O)c1ccc2OCc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C30H37N5O5/c1-21(29(37)38)22-10-11-26-25(18-22)35(24-9-5-4-8-23(24)20-40-26)15-7-13-33-12-6-14-34(17-16-33)27-19-28(36)32(3)30(39)31(27)2/h4-5,8-11,18-19,21H,6-7,12-17,20H2,1-3H3,(H,37,38)
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n/an/a 128n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343576
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H35N5O5/c1-30-26(19-27(35)31(2)29(30)38)33-13-5-11-32(15-16-33)12-6-14-34-23-8-4-3-7-22(23)20-39-25-10-9-21(17-24(25)34)18-28(36)37/h3-4,7-10,17,19H,5-6,11-16,18,20H2,1-2H3,(H,36,37)
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n/an/a 128n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343581
PNG
(CHEMBL1774506 | [(5Z)-5-{3-[4-(1,3-Dimethyl-2,6-di...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C31H36N4O4/c1-32-28(21-29(36)33(2)31(32)39)35-16-6-15-34(17-18-35)14-5-9-26-25-8-4-3-7-23(25)12-13-24-11-10-22(19-27(24)26)20-30(37)38/h3-4,7-11,19,21H,5-6,12-18,20H2,1-2H3,(H,37,38)/b26-9-
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n/an/a 135n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343579
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O5/c1-28-24(17-25(33)29(2)27(28)36)31-14-12-30(13-15-31)10-5-11-32-21-7-4-3-6-20(21)18-37-23-9-8-19(26(34)35)16-22(23)32/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3,(H,34,35)
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n/an/a 140n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343574
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3COc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C31H39N5O5/c1-31(2,29(38)39)23-11-12-26-25(19-23)36(24-10-6-5-9-22(24)21-41-26)16-8-14-34-13-7-15-35(18-17-34)27-20-28(37)33(4)30(40)32(27)3/h5-6,9-12,19-20H,7-8,13-18,21H2,1-4H3,(H,38,39)
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n/an/a 150n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343580
PNG
((5Z)-5-{3-[4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CC\C=C2\c3ccccc3CCc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C30H34N4O4/c1-31-27(20-28(35)32(2)30(31)38)34-16-6-15-33(17-18-34)14-5-9-25-24-8-4-3-7-21(24)10-11-22-12-13-23(29(36)37)19-26(22)25/h3-4,7-9,12-13,19-20H,5-6,10-11,14-18H2,1-2H3,(H,36,37)/b25-9-
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n/an/a 153n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343582
PNG
(CHEMBL1774505 | [(5Z)-5-{3-[4-(1,3-Dimethyl-2,6-di...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3CCc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C30H34N4O4/c1-31-27(20-28(35)32(2)30(31)38)34-16-14-33(15-17-34)13-5-8-25-24-7-4-3-6-22(24)11-12-23-10-9-21(18-26(23)25)19-29(36)37/h3-4,6-10,18,20H,5,11-17,19H2,1-2H3,(H,36,37)/b25-8-
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n/an/a 195n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343577
PNG
(2-(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-14-12-31(13-15-32)10-5-11-33-22-7-4-3-6-21(22)19-38-24-9-8-20(16-23(24)33)17-27(35)36/h3-4,6-9,16,18H,5,10-15,17,19H2,1-2H3,(H,35,36)
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n/an/a 255n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343584
PNG
((Z)-11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetra...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2\c3ccccc3COc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C28H30N4O5/c1-29-25(17-26(33)30(2)28(29)36)32-14-12-31(13-15-32)11-5-8-22-21-7-4-3-6-20(21)18-37-24-10-9-19(27(34)35)16-23(22)24/h3-4,6-10,16-17H,5,11-15,18H2,1-2H3,(H,34,35)/b22-8-
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n/an/a 325n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343573
PNG
(5-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3cc(ccc3COc3ccccc23)C(O)=O)CC1
Show InChI InChI=1S/C28H33N5O5/c1-29-25(18-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-22-7-3-4-8-24(22)38-19-21-10-9-20(27(35)36)17-23(21)33/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,35,36)
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n/an/a 530n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (human))
BDBM50343586
PNG
((E)-2-(11-(3-(4-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-te...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CC\C=C2/c3ccccc3COc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H32N4O5/c1-30-26(18-27(34)31(2)29(30)37)33-14-12-32(13-15-33)11-5-8-23-22-7-4-3-6-21(22)19-38-25-10-9-20(16-24(23)25)17-28(35)36/h3-4,6-10,16,18H,5,11-15,17,19H2,1-2H3,(H,35,36)/b23-8+
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n/an/a 540n/an/an/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO-K1 cells after 60 mins by scintillation counting


Bioorg Med Chem 19: 3005-21 (2011)


Article DOI: 10.1016/j.bmc.2011.03.003
BindingDB Entry DOI: 10.7270/Q23T9HJM
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425251
PNG
(CHEMBL2315152)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)N(C)C)c2n1
Show InChI InChI=1S/C18H25N7O/c1-4-5-10-20-17-22-15(19)14-16(23-17)25(18(26)21-14)11-12-6-8-13(9-7-12)24(2)3/h6-9H,4-5,10-11H2,1-3H3,(H,21,26)(H3,19,20,22,23)
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n/an/an/an/a 9.30n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425250
PNG
(CHEMBL2315153)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)N3CCCCC3)c2n1
Show InChI InChI=1S/C21H29N7O/c1-2-3-11-23-20-25-18(22)17-19(26-20)28(21(29)24-17)14-15-7-9-16(10-8-15)27-12-5-4-6-13-27/h7-10H,2-6,11-14H2,1H3,(H,24,29)(H3,22,23,25,26)
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n/an/an/an/a 7.60n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425249
PNG
(CHEMBL2315154)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)N3CCOCC3)c2n1
Show InChI InChI=1S/C20H27N7O2/c1-2-3-8-22-19-24-17(21)16-18(25-19)27(20(28)23-16)13-14-4-6-15(7-5-14)26-9-11-29-12-10-26/h4-7H,2-3,8-13H2,1H3,(H,23,28)(H3,21,22,24,25)
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n/an/an/an/a 58n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425248
PNG
(CHEMBL2315155)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(cc3)N3CCN(C)CC3)c2n1
Show InChI InChI=1S/C21H30N8O/c1-3-4-9-23-20-25-18(22)17-19(26-20)29(21(30)24-17)14-15-5-7-16(8-6-15)28-12-10-27(2)11-13-28/h5-8H,3-4,9-14H2,1-2H3,(H,24,30)(H3,22,23,25,26)
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n/an/an/an/a 7n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425247
PNG
(CHEMBL2315156)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)N3CCCCC3)c2n1
Show InChI InChI=1S/C21H29N7O/c1-2-3-10-23-20-25-18(22)17-19(26-20)28(21(29)24-17)14-15-8-7-9-16(13-15)27-11-5-4-6-12-27/h7-9,13H,2-6,10-12,14H2,1H3,(H,24,29)(H3,22,23,25,26)
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n/an/an/an/a 30n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425246
PNG
(CHEMBL2315157)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)N3CCN(C)CC3)c2n1
Show InChI InChI=1S/C21H30N8O/c1-3-4-8-23-20-25-18(22)17-19(26-20)29(21(30)24-17)14-15-6-5-7-16(13-15)28-11-9-27(2)10-12-28/h5-7,13H,3-4,8-12,14H2,1-2H3,(H,24,30)(H3,22,23,25,26)
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n/an/an/an/a 130n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425245
PNG
(CHEMBL383765)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)nc3)c2n1
Show InChI InChI=1S/C16H21N7O/c1-3-4-7-18-15-21-13(17)12-14(22-15)23(16(24)20-12)9-11-6-5-10(2)19-8-11/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,24)(H3,17,18,21,22)
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n/an/an/an/a 32n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425244
PNG
(CHEMBL426485)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OC)nc3)c2n1
Show InChI InChI=1S/C16H21N7O2/c1-3-4-7-18-15-21-13(17)12-14(22-15)23(16(24)20-12)9-10-5-6-11(25-2)19-8-10/h5-6,8H,3-4,7,9H2,1-2H3,(H,20,24)(H3,17,18,21,22)
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n/an/an/an/a 28n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425234
PNG
(CHEMBL2315158)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
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n/an/an/an/a 7.20n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425243
PNG
(CHEMBL2315159)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C20H30N8O2/c1-4-5-9-22-19-25-17(21)16-18(26-19)28(20(29)24-16)13-14-7-8-15(23-12-14)30-11-6-10-27(2)3/h7-8,12H,4-6,9-11,13H2,1-3H3,(H,24,29)(H3,21,22,25,26)
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n/an/an/an/a 20n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425242
PNG
(CHEMBL2315160)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C21H32N8O2/c1-4-5-10-23-20-26-18(22)17-19(27-20)29(21(30)25-17)14-15-8-9-16(24-13-15)31-12-7-6-11-28(2)3/h8-9,13H,4-7,10-12,14H2,1-3H3,(H,25,30)(H3,22,23,26,27)
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n/an/an/an/a 15n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425241
PNG
(CHEMBL2315161)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCNC)nc3)c2n1
Show InChI InChI=1S/C18H26N8O2/c1-3-4-7-21-17-24-15(19)14-16(25-17)26(18(27)23-14)11-12-5-6-13(22-10-12)28-9-8-20-2/h5-6,10,20H,3-4,7-9,11H2,1-2H3,(H,23,27)(H3,19,21,24,25)
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n/an/an/an/a 166n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425240
PNG
(CHEMBL2315162)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN4CCOCC4)nc3)c2n1
Show InChI InChI=1S/C21H30N8O3/c1-2-3-6-23-20-26-18(22)17-19(27-20)29(21(30)25-17)14-15-4-5-16(24-13-15)32-12-9-28-7-10-31-11-8-28/h4-5,13H,2-3,6-12,14H2,1H3,(H,25,30)(H3,22,23,26,27)
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n/an/an/an/a 50n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425239
PNG
(CHEMBL2315163)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N(C)CCCN(C)C)c2n1
Show InChI InChI=1S/C21H33N9O/c1-5-6-10-23-20-26-18(22)17-19(27-20)30(21(31)25-17)14-15-8-9-16(24-13-15)29(4)12-7-11-28(2)3/h8-9,13H,5-7,10-12,14H2,1-4H3,(H,25,31)(H3,22,23,26,27)
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n/an/an/an/a 73n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425238
PNG
(CHEMBL2315164)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCC(CC3)N(C)C)c2n1
Show InChI InChI=1S/C22H33N9O/c1-4-5-10-24-21-27-19(23)18-20(28-21)31(22(32)26-18)14-15-6-7-17(25-13-15)30-11-8-16(9-12-30)29(2)3/h6-7,13,16H,4-5,8-12,14H2,1-3H3,(H,26,32)(H3,23,24,27,28)
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n/an/an/an/a 9.40n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425237
PNG
(CHEMBL2315165)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCC(C3)N(C)C)c2n1
Show InChI InChI=1S/C21H31N9O/c1-4-5-9-23-20-26-18(22)17-19(27-20)30(21(31)25-17)12-14-6-7-16(24-11-14)29-10-8-15(13-29)28(2)3/h6-7,11,15H,4-5,8-10,12-13H2,1-3H3,(H,25,31)(H3,22,23,26,27)
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n/an/an/an/a 7.40n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425236
PNG
(CHEMBL2315166)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCN(C)CC3)c2n1
Show InChI InChI=1S/C20H29N9O/c1-3-4-7-22-19-25-17(21)16-18(26-19)29(20(30)24-16)13-14-5-6-15(23-12-14)28-10-8-27(2)9-11-28/h5-6,12H,3-4,7-11,13H2,1-2H3,(H,24,30)(H3,21,22,25,26)
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n/an/an/an/a 5.40n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425235
PNG
(CHEMBL2315167)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(nc3)N3CCNCC3)c2n1
Show InChI InChI=1S/C19H27N9O/c1-2-3-6-22-18-25-16(20)15-17(26-18)28(19(29)24-15)12-13-4-5-14(23-11-13)27-9-7-21-8-10-27/h4-5,11,21H,2-3,6-10,12H2,1H3,(H,24,29)(H3,20,22,25,26)
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n/an/an/an/a 49n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425233
PNG
(CHEMBL549344)
Show SMILES CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
Show InChI InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
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n/an/an/an/a 2.66E+3n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50425234
PNG
(CHEMBL2315158)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCN(C)C)nc3)c2n1
Show InChI InChI=1S/C19H28N8O2/c1-4-5-8-21-18-24-16(20)15-17(25-18)27(19(28)23-15)12-13-6-7-14(22-11-13)29-10-9-26(2)3/h6-7,11H,4-5,8-10,12H2,1-3H3,(H,23,28)(H3,20,21,24,25)
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n/an/an/an/a 4.60n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse TLR7


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Homo sapiens (Human))
BDBM50425252
PNG
(CHEMBL438447)
Show SMILES CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(C)cc3)c2n1
Show InChI InChI=1S/C17H22N6O/c1-3-4-9-19-16-21-14(18)13-15(22-16)23(17(24)20-13)10-12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)(H3,18,19,21,22)
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n/an/an/an/a 166n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


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


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair
Toll-like receptor 7


(Mus musculus)
BDBM50425233
PNG
(CHEMBL549344)
Show SMILES CCc1nc2c(N)nc3ccccc3c2n1CCCCNS(C)(=O)=O
Show InChI InChI=1S/C17H23N5O2S/c1-3-14-21-15-16(12-8-4-5-9-13(12)20-17(15)18)22(14)11-7-6-10-19-25(2,23)24/h4-5,8-9,19H,3,6-7,10-11H2,1-2H3,(H2,18,20)
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n/an/an/an/a 6.22E+3n/an/an/an/a



Dainippon Sumitomo Pharma. Co., Ltd

Curated by ChEMBL


Assay Description
Agonist activity at mouse TLR7


Bioorg Med Chem Lett 23: 669-72 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.114
BindingDB Entry DOI: 10.7270/Q2B859DG
More data for this
Ligand-Target Pair