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Compile Data Set for Download or QSAR

Found 159 hits with Last Name = 'kubota' and Initial = 'k'   
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
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50002087
PNG
(4-(1-Methyl-piperidin-4-ylidene)-4,9-dihydro-1-thi...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1\c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
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))
BDBM94597
PNG
((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12
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 Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295708
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)N1CCCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)38-24-10-9-20(17-22(24)33)18-27(35)36/h3-4,7-10,17,19H,5-6,11-16,18H2,1-2H3,(H,35,36)
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n/an/a 23n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295714
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-13-5-11-30(15-16-31)12-6-14-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
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n/an/a 23n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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n/an/a 28n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295710
PNG
(10-(4-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-24(18-25(33)29(2)27(28)36)31-15-13-30(14-16-31)11-5-6-12-32-20-7-3-4-8-22(20)37-23-10-9-19(26(34)35)17-21(23)32/h3-4,7-10,17-18H,5-6,11-16H2,1-2H3,(H,34,35)
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n/an/a 35n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295715
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C26H29N5O4S/c1-27-23(17-24(32)28(2)26(27)35)30-14-12-29(13-15-30)10-5-11-31-19-6-3-4-7-21(19)36-22-9-8-18(25(33)34)16-20(22)31/h3-4,6-9,16-17H,5,10-15H2,1-2H3,(H,33,34)
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n/an/a 37n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
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 Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295723
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CCC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C30H37N5O4S/c1-4-22(29(37)38)21-11-12-26-24(19-21)35(23-9-5-6-10-25(23)40-26)16-8-14-33-13-7-15-34(18-17-33)27-20-28(36)32(3)30(39)31(27)2/h5-6,9-12,19-20,22H,4,7-8,13-18H2,1-3H3,(H,37,38)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
BDBM50295720
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)C1=CCN(CCCN2c3ccccc3Sc3ccc(CC(O)=O)cc23)CC1 |t:11|
Show InChI InChI=1S/C28H30N4O4S/c1-29-22(18-26(33)30(2)28(29)36)20-10-14-31(15-11-20)12-5-13-32-21-6-3-4-7-24(21)37-25-9-8-19(16-23(25)32)17-27(34)35/h3-4,6-10,16,18H,5,11-15,17H2,1-2H3,(H,34,35)
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n/an/a 41n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295717
PNG
(10-((1-(3-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahyd...)
Show SMILES Cn1c(NCCCN2CCC(CN3c4ccccc4Sc4ccc(cc34)C(O)=O)CC2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C28H33N5O4S/c1-30-25(17-26(34)31(2)28(30)37)29-12-5-13-32-14-10-19(11-15-32)18-33-21-6-3-4-7-23(21)38-24-9-8-20(27(35)36)16-22(24)33/h3-4,6-9,16-17,19,29H,5,10-15,18H2,1-2H3,(H,35,36)
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n/an/a 46n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295716
PNG
(10-((1-(3-((1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahy...)
Show SMILES CN(CCCN1CCC(CN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1)c1cc(=O)n(C)c(=O)n1C
Show InChI InChI=1S/C29H35N5O4S/c1-30(26-18-27(35)32(3)29(38)31(26)2)13-6-14-33-15-11-20(12-16-33)19-34-22-7-4-5-8-24(22)39-25-10-9-21(28(36)37)17-23(25)34/h4-5,7-10,17-18,20H,6,11-16,19H2,1-3H3,(H,36,37)
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n/an/a 53n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
BDBM50295718
PNG
(6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propyl...)
Show SMILES Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
Show InChI InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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n/an/a 58n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
BDBM50295726
PNG
(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C29H35N5O4S/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-22-7-3-4-8-24(22)39-25-11-9-21(19-23(25)34)10-12-28(36)37/h3-4,7-9,11,19-20H,5-6,10,12-18H2,1-2H3,(H,36,37)
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n/an/a 69n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
BDBM50295725
PNG
(2-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES CC(C(O)=O)c1ccc2Sc3ccccc3N(CCCN3CCCN(CC3)c3cc(=O)n(C)c(=O)n3C)c2c1
Show InChI InChI=1S/C29H35N5O4S/c1-20(28(36)37)21-10-11-25-23(18-21)34(22-8-4-5-9-24(22)39-25)15-7-13-32-12-6-14-33(17-16-32)26-19-27(35)31(3)29(38)30(26)2/h4-5,8-11,18-20H,6-7,12-17H2,1-3H3,(H,36,37)
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n/an/a 72n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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 Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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 Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Inhibition of histamine H1 receptor


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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))
BDBM50295722
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)N1CCCN(CCCN2c3ccccc3Sc3ccc(OCC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O5S/c1-29-25(18-26(34)30(2)28(29)37)32-13-5-11-31(15-16-32)12-6-14-33-21-7-3-4-8-23(21)39-24-10-9-20(17-22(24)33)38-19-27(35)36/h3-4,7-10,17-18H,5-6,11-16,19H2,1-2H3,(H,35,36)
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n/an/a 88n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
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n/an/a 100n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295727
PNG
(3-(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(CCC(O)=O)cc23)CC1
Show InChI InChI=1S/C28H33N5O4S/c1-29-25(19-26(34)30(2)28(29)37)32-16-14-31(15-17-32)12-5-13-33-21-6-3-4-7-23(21)38-24-10-8-20(18-22(24)33)9-11-27(35)36/h3-4,6-8,10,18-19H,5,9,11-17H2,1-2H3,(H,35,36)
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n/an/a 105n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295724
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)N1CCCN(CCCN2c3ccccc3Sc3ccc(cc23)C(C)(C)C(O)=O)CC1
Show InChI InChI=1S/C30H37N5O4S/c1-30(2,28(37)38)21-11-12-25-23(19-21)35(22-9-5-6-10-24(22)40-25)16-8-14-33-13-7-15-34(18-17-33)26-20-27(36)32(4)29(39)31(26)3/h5-6,9-12,19-20H,7-8,13-18H2,1-4H3,(H,37,38)
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n/an/a 123n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295711
PNG
(10-(2-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCN(CCN2c3ccccc3Sc3ccc(cc23)C(O)=O)CC1
Show InChI InChI=1S/C25H27N5O4S/c1-26-22(16-23(31)27(2)25(26)34)29-12-9-28(10-13-29)11-14-30-18-5-3-4-6-20(18)35-21-8-7-17(24(32)33)15-19(21)30/h3-8,15-16H,9-14H2,1-2H3,(H,32,33)
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n/an/a 124n/an/an/an/an/an/a



Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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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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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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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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))
BDBM50295721
PNG
(3-(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrah...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3ccc(\C=C/C(O)=O)cc23)CC1
Show InChI InChI=1S/C29H33N5O4S/c1-30-26(20-27(35)31(2)29(30)38)33-15-5-13-32(17-18-33)14-6-16-34-22-7-3-4-8-24(22)39-25-11-9-21(19-23(25)34)10-12-28(36)37/h3-4,7-12,19-20H,5-6,13-18H2,1-2H3,(H,36,37)/b12-10-
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Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
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
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130533
PNG
(CHEMBL3632693)
Show SMILES COc1cc(ccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C24H27F3N2O4/c1-32-22-12-17(24(25,26)27)6-7-21(22)33-15-19(30)14-28-10-8-18(9-11-28)29-13-16-4-2-3-5-20(16)23(29)31/h2-7,12,18-19,30H,8-11,13-15H2,1H3
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130525
PNG
(CHEMBL3632641)
Show SMILES OC(COc1ccc(cc1)C(=O)c1ccccc1)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C29H30N2O4/c32-25(20-35-26-12-10-22(11-13-26)28(33)21-6-2-1-3-7-21)19-30-16-14-24(15-17-30)31-18-23-8-4-5-9-27(23)29(31)34/h1-13,24-25,32H,14-20H2
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50130536
PNG
(CHEMBL3632696)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)NC(=O)c1ccccc1
Show InChI InChI=1/C22H25F3N2O3/c23-22(24,25)17-6-8-20(9-7-17)30-15-19(28)14-27-12-10-18(11-13-27)26-21(29)16-4-2-1-3-5-16/h1-9,18-19,28H,10-15H2,(H,26,29)
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130533
PNG
(CHEMBL3632693)
Show SMILES COc1cc(ccc1OCC(O)CN1CCC(CC1)N1Cc2ccccc2C1=O)C(F)(F)F
Show InChI InChI=1/C24H27F3N2O4/c1-32-22-12-17(24(25,26)27)6-7-21(22)33-15-19(30)14-28-10-8-18(9-11-28)29-13-16-4-2-3-5-20(16)23(29)31/h2-7,12,18-19,30H,8-11,13-15H2,1H3
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295712
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3c2cccc3C(O)=O)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-11-22(20)37-25-19(26(34)35)8-5-10-21(25)32/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
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Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50295713
PNG
(10-(3-(4-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydr...)
Show SMILES Cn1c(cc(=O)n(C)c1=O)N1CCCN(CCCN2c3ccccc3Sc3cccc(C(O)=O)c23)CC1
Show InChI InChI=1S/C27H31N5O4S/c1-28-23(18-24(33)29(2)27(28)36)31-14-6-12-30(16-17-31)13-7-15-32-20-9-3-4-10-21(20)37-22-11-5-8-19(25(22)32)26(34)35/h3-5,8-11,18H,6-7,12-17H2,1-2H3,(H,34,35)
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Dainippon Sumitomo Phrama. Co. Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHOK1 cells by scintillation counting


Bioorg Med Chem Lett 19: 2766-71 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.124
BindingDB Entry DOI: 10.7270/Q2GM87BK
More data for this
Ligand-Target Pair
Sodium channel protein type 9 subunit alpha


(Homo sapiens (Human))
BDBM50130532
PNG
(CHEMBL3632692)
Show SMILES OC(COc1ccc(cc1)C(F)(F)F)CN1CCC(CC1)N1Cc2ccccc2C1=O
Show InChI InChI=1/C23H25F3N2O3/c24-23(25,26)17-5-7-20(8-6-17)31-15-19(29)14-27-11-9-18(10-12-27)28-13-16-3-1-2-4-21(16)22(28)30/h1-8,18-19,29H,9-15H2
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Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human NaV1.7 by IonWorks quattro automated electrophysiology assay


Bioorg Med Chem Lett 25: 5419-23 (2015)


BindingDB Entry DOI: 10.7270/Q2930W06
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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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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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
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