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Compile Data Set for Download or QSAR

Found 102 hits of ec50 data for polymerid = 2295,2296,2297,49000651,49000652,49000655   
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))
BDBM50127603
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127602
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127609
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127608
PNG
(2-[2-(1H-Imidazol-4-yl)-cyclopropyl]-ethylamine | ...)
Show SMILES NCC[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127610
PNG
((1S,2S)-2-(2-aminoethyl)-1-(1H-imidazol-4-yl)cyclo...)
Show SMILES NCC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C8H13N3/c9-2-1-6-3-7(6)8-4-10-5-11-8/h4-7H,1-3,9H2,(H,10,11)/t6-,7+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127606
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL2940...)
Show SMILES N[C@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127607
PNG
((1R,2R)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@@H]1C[C@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m1/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127604
PNG
(C-[2-(1H-Imidazol-4-yl)-cyclopropyl]-methylamine |...)
Show SMILES NC[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C7H11N3/c8-2-5-1-6(5)7-3-9-4-10-7/h3-6H,1-2,8H2,(H,9,10)/t5-,6-/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127601
PNG
(2-(1H-Imidazol-4-yl)-cyclopropylamine | CHEMBL5938...)
Show SMILES N[C@@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5+/m0/s1
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n/an/an/an/a>0.000100n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22567
PNG
(3H]pyrilamine | CHEMBL511 | Dorantamin | Mepyramin...)
Show SMILES COc1ccc(CN(CCN(C)C)c2ccccn2)cc1
Show InChI InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3
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n/an/an/an/a 2.60n/an/an/an/a



Tom's of Maine

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in CHO-K1 cells


J Nat Prod 69: 432-5 (2006)


Article DOI: 10.1021/np058114h
BindingDB Entry DOI: 10.7270/Q2V98907
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 13n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 45n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in 293-EBNA cells by luciferase reporter gene assay


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415915
PNG
(CHEMBL1096431)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 66.1n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415916
PNG
(CHEMBL1096430)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)C1CCCCC1 |r,w:8.8|
Show InChI InChI=1S/C17H29N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h11-14H,2-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 89.1n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 190n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H1 receptor expressed in sf9 cell membrane co-expressing RGS4 or RGS9 assessed as increase in 32Pi level incubate...


J Med Chem 59: 3452-70 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00120
BindingDB Entry DOI: 10.7270/Q23T9K42
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 190n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


J Med Chem 51: 7193-204 (2009)


Article DOI: 10.1021/jm800841w
BindingDB Entry DOI: 10.7270/Q2RN38T6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 191n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase assay


J Med Chem 52: 6297-313 (2009)


Article DOI: 10.1021/jm900526h
BindingDB Entry DOI: 10.7270/Q2PN96VG
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 191n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM7966
PNG
(2-(1H-imidazol-4-yl)ethan-1-amine | CHEMBL544208 |...)
Show SMILES NCCc1cnc[nH]1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 191n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50470716
PNG
(CHEMBL26116)
Show SMILES NCCc1c[nH]c(n1)-c1cccc(Br)c1
Show InChI InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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n/an/an/an/a 200n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 200n/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 672-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.030
BindingDB Entry DOI: 10.7270/Q2X63QQ9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 200n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50403672
PNG
(CHEMBL24665)
Show SMILES NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
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n/an/an/an/a 251n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM22862
PNG
(2-(2-methyl-1H-imidazol-4-yl)ethan-1-amine | 2-Met...)
Show SMILES Cc1ncc(CCN)[nH]1
Show InChI InChI=1S/C6H11N3/c1-5-8-4-6(9-5)2-3-7/h4H,2-3,7H2,1H3,(H,8,9)
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n/an/an/an/a 794n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415917
PNG
(CHEMBL1096429)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m0/s1
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n/an/an/an/a 832n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50127605
PNG
((1S,2S)-2-(1H-Imidazol-4-yl)-cyclopropylamine | (1...)
Show SMILES N[C@H]1C[C@@H]1c1cnc[nH]1
Show InChI InChI=1S/C6H9N3/c7-5-1-4(5)6-2-8-3-9-6/h2-5H,1,7H2,(H,8,9)/t4-,5-/m0/s1
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n/an/an/an/a 864n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of human Histamine H1 receptor using [3H]-pyrilamine


J Med Chem 46: 1980-8 (2003)


Article DOI: 10.1021/jm020415q
BindingDB Entry DOI: 10.7270/Q2XG9QG6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50121205
PNG
(CHEBI:18295 | Histamine)
Show SMILES NCCc1c[nH]cn1
Show InChI InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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n/an/an/an/a 1.14E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50403672
PNG
(CHEMBL24665)
Show SMILES NCCc1cnc([nH]1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C12H12F3N3/c13-12(14,15)9-3-1-2-8(6-9)11-17-7-10(18-11)4-5-16/h1-3,6-7H,4-5,16H2,(H,17,18)
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n/an/an/an/a 1.28E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50475625
PNG
(CHEMBL202371)
Show SMILES NCCc1c[nH]c(n1)C(=O)CC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H21N3O/c21-12-11-17-14-22-20(23-17)19(24)13-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,14,18H,11-13,21H2,(H,22,23)
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n/an/an/an/a 1.66E+3n/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at histamine H1 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 672-6 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.030
BindingDB Entry DOI: 10.7270/Q2X63QQ9
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50413508
PNG
(CHEMBL474448)
Show SMILES NC(NC(=O)c1cc2ccccc2[nH]1)=NCCCc1cnc[nH]1 |w:14.16|
Show InChI InChI=1S/C16H18N6O/c17-16(19-7-3-5-12-9-18-10-20-12)22-15(23)14-8-11-4-1-2-6-13(11)21-14/h1-2,4,6,8-10,21H,3,5,7H2,(H,18,20)(H3,17,19,22,23)
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n/an/an/an/a 1.70E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50413499
PNG
(CHEMBL465170 | UR-PI295)
Show SMILES CCCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
Show InChI InChI=1S/C11H19N5O/c1-2-4-10(17)16-11(12)14-6-3-5-9-7-13-8-15-9/h7-8H,2-6H2,1H3,(H,13,15)(H3,12,14,16,17)
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n/an/an/an/a 2.19E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470716
PNG
(CHEMBL26116)
Show SMILES NCCc1c[nH]c(n1)-c1cccc(Br)c1
Show InChI InChI=1S/C11H12BrN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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n/an/an/an/a 2.51E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50413500
PNG
(CHEMBL471724 | UR-PI287)
Show SMILES CC(C)C(=O)NC(N)=NCCCc1cnc[nH]1 |w:8.8|
Show InChI InChI=1S/C11H19N5O/c1-8(2)10(17)16-11(12)14-5-3-4-9-6-13-7-15-9/h6-8H,3-5H2,1-2H3,(H,13,15)(H3,12,14,16,17)
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n/an/an/an/a 2.57E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470721
PNG
(CHEMBL287367)
Show SMILES NCCc1c[nH]c(n1)-c1cccc(I)c1
Show InChI InChI=1S/C11H12IN3/c12-9-3-1-2-8(6-9)11-14-7-10(15-11)4-5-13/h1-3,6-7H,4-5,13H2,(H,14,15)
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n/an/an/an/a 2.57E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50413498
PNG
(CHEMBL475621 | UR-PI294)
Show SMILES CCC(=O)NC(N)=NCCCc1cnc[nH]1 |w:7.7|
Show InChI InChI=1S/C10H17N5O/c1-2-9(16)15-10(11)13-5-3-4-8-6-12-7-14-8/h6-7H,2-5H2,1H3,(H,12,14)(H3,11,13,15,16)
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n/an/an/an/a 3.47E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in insect Sf9 cells co-expressing RGS4 assessed as gamma[32P]GTP binding by liquid scintillation coun...


J Med Chem 52: 2623-7 (2009)


Article DOI: 10.1021/jm9000693
BindingDB Entry DOI: 10.7270/Q2P270BN
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470720
PNG
(CHEMBL24000)
Show SMILES NCCc1c[nH]c(n1)-c1ccco1
Show InChI InChI=1S/C9H11N3O/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
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n/an/an/an/a 5.37E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470722
PNG
(CHEMBL24001)
Show SMILES NCCc1c[nH]c(n1)-c1ccsc1
Show InChI InChI=1S/C9H11N3S/c10-3-1-8-5-11-9(12-8)7-2-4-13-6-7/h2,4-6H,1,3,10H2,(H,11,12)
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n/an/an/an/a 6.16E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415918
PNG
(CHEMBL1096428)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1cnc[nH]1)c1ccccc1 |r,w:8.8|
Show InChI InChI=1S/C17H23N5O/c1-13(14-6-3-2-4-7-14)10-16(23)22-17(18)20-9-5-8-15-11-19-12-21-15/h2-4,6-7,11-13H,5,8-10H2,1H3,(H,19,21)(H3,18,20,22,23)/t13-/m1/s1
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n/an/an/an/a 6.17E+3n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470713
PNG
(CHEMBL24316)
Show SMILES NCCc1c[nH]c(n1)-c1ccccc1
Show InChI InChI=1S/C11H13N3/c12-7-6-10-8-13-11(14-10)9-4-2-1-3-5-9/h1-5,8H,6-7,12H2,(H,13,14)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM22866
PNG
(2-(1,3-thiazol-2-yl)ethan-1-amine | 2-(2-Thiazolyl...)
Show SMILES NCCc1nccs1
Show InChI InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2
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n/an/an/an/a 6.76E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50470714
PNG
(CHEMBL26064)
Show SMILES NCCc1c[nH]c(n1)-c1cccs1
Show InChI InChI=1S/C9H11N3S/c10-4-3-7-6-11-9(12-7)8-2-1-5-13-8/h1-2,5-6H,3-4,10H2,(H,11,12)
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n/an/an/an/a 9.99E+3n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
H1-Histamine receptor agonism on Guinea pig aorta was evaluated (SEM 0.03-0.18)


J Med Chem 38: 1287-94 (1995)


Article DOI: 10.1021/jm00008a007
BindingDB Entry DOI: 10.7270/Q2CV4MGW
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50194208
PNG
((1S,2R)-trans-2-[2-(4-chlorobenzylamino)ethyl]-1-(...)
Show SMILES Clc1ccc(CNCC[C@H]2C[C@@H]2c2cnc[nH]2)cc1
Show InChI InChI=1S/C15H18ClN3/c16-13-3-1-11(2-4-13)8-17-6-5-12-7-14(12)15-9-18-10-19-15/h1-4,9-10,12,14,17H,5-8H2,(H,18,19)/t12-,14-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Agonist activity at human H1 receptor expressed in 293-EBNA cells by luciferase reporter gene assay


J Med Chem 49: 5587-96 (2006)


Article DOI: 10.1021/jm0603318
BindingDB Entry DOI: 10.7270/Q2MW2GRK
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50516235
PNG
(CHEMBL4563408)
Show SMILES FC(F)Oc1ccc(NC(=O)NC2CCN(CC2)c2ncnc3n(c(nc23)-c2ccccc2Cl)-c2ccc(Cl)cc2)cn1
Show InChI InChI=1S/C29H24Cl2F2N8O2/c30-17-5-8-20(9-6-17)41-25(21-3-1-2-4-22(21)31)39-24-26(35-16-36-27(24)41)40-13-11-18(12-14-40)37-29(42)38-19-7-10-23(34-15-19)43-28(32)33/h1-10,15-16,18,28H,11-14H2,(H2,37,38,42)
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n/an/an/an/a>1.00E+4n/an/an/an/a



RTI International

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from recombinant human H1 receptor after 60 mins by scintillation counting analysis


J Med Chem 62: 6330-6345 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00727
BindingDB Entry DOI: 10.7270/Q24F1V3D
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415921
PNG
(CHEMBL1094452)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415919
PNG
(CHEMBL1094144)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)C1CCCCC1 |r,w:8.8|
Show InChI InChI=1S/C18H31N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h12,14H,3-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415920
PNG
(CHEMBL1098442)
Show SMILES C[C@@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
Show InChI InChI=1S/C18H25N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m0/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415914
PNG
(CHEMBL1098441)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
Show InChI InChI=1S/C18H25N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50415914
PNG
(CHEMBL1098441)
Show SMILES C[C@H](CC(=O)NC(N)=NCCCc1sc(N)nc1C)c1ccccc1 |r,w:8.8|
Show InChI InChI=1S/C18H25N5OS/c1-12(14-7-4-3-5-8-14)11-16(24)23-17(19)21-10-6-9-15-13(2)22-18(20)25-15/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,20,22)(H3,19,21,23,24)/t12-/m1/s1
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n/an/an/an/a>1.00E+4n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Activity at human recombinant histamine H1 receptor expressed in Sf9 cells coexpressing RGS4 by steady-state GTPase activity assay


Bioorg Med Chem Lett 20: 3173-6 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.082
BindingDB Entry DOI: 10.7270/Q2RF5W9M
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50319302
PNG
(5-(3-(4-(5-fluoro-4-methyl-1H-benzo[d]imidazol-2-y...)
Show SMILES Cc1cc(OCCCN2CCc3nc[nH]c3C2)ccc1-c1nc2ccc(F)c(C)c2[nH]1
Show InChI InChI=1S/C24H26FN5O/c1-15-12-17(31-11-3-9-30-10-8-20-22(13-30)27-14-26-20)4-5-18(15)24-28-21-7-6-19(25)16(2)23(21)29-24/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,26,27)(H,28,29)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Displacement of [3H]pyrilamine from human recombinant histamine H1 receptor expressed in human SK-N-MC cells


Bioorg Med Chem Lett 20: 3367-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.017
BindingDB Entry DOI: 10.7270/Q23J3D4Z
More data for this
Ligand-Target Pair
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