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BDBM50017674 (2-Benzhydryloxy-ethyl)-dimethyl-amine::2-(benzhydryloxy)-N,N-dimethylethanamine::2-(diphenylmethoxy)-N,N-dimethylethanamine::Antitussive::Beldin::Belix::Benadryl::Benylin::CHEMBL657::DIMENHYDRINATE::DIPHENHYDRAMINE::Dibenil::Diphen::Hydramine::N-[2-(BENZHYDRYLOXY)ETHYL]-N,N-DIMETHYLAMINE::Silphen::US9138431, DIPHENHYDRAMINE (Benadryl)::US9333199, DIPHENHYDRAMINE (Benadryl)

SMILES: CN(C)CCOC(c1ccccc1)c1ccccc1

InChI Key: InChIKey=ZZVUWRFHKOJYTH-UHFFFAOYSA-N

Data: 20 KI  19 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 50017674   
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


(Cavia porcellus (domestic guinea pig))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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PubMed
9.20n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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9.57n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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11.7n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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13.5n/an/an/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by PDSP Ki Database




J Pharmacol Exp Ther 302: 328-36 (2002)


Article DOI: 10.1124/jpet.302.1.328
BindingDB Entry DOI: 10.7270/Q2JQ0ZK1
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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14.1n/an/an/an/an/an/an/an/a



Mayo Clinic and Foundation

Curated by PDSP Ki Database




Ann N Y Acad Sci 537: 435-42 (1988)


Article DOI: 10.1111/j.1749-6632.1988.tb42125.x
BindingDB Entry DOI: 10.7270/Q2X065JH
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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14.8n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]mepyramine from human H1R expressed in Sf9 cells co-expressing RGS4 after 90 mins by liquid scintillation counting


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Histamine H1 receptor


(RAT)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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17n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Proc Natl Acad Sci U S A 75: 6290-4 (1978)


Article DOI: 10.1073/pnas.75.12.6290
BindingDB Entry DOI: 10.7270/Q2FN14P6
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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62n/an/an/an/an/an/an/an/a



Mayo Foundation

Curated by PDSP Ki Database




Brain Res 304: 1-7 (1984)


Article DOI: 10.1016/0006-8993(84)90856-4
BindingDB Entry DOI: 10.7270/Q21N7ZMS
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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100n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M4


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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112n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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120n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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229n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
CHRM5


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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260n/an/an/an/an/an/an/an/a



Mayo Clinic Jacksonville

Curated by PDSP Ki Database




J Pharmacol Exp Ther 260: 576-80 (1992)


BindingDB Entry DOI: 10.7270/Q28P5Z0G
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Alpha-1A adrenergic receptor


(Rattus norvegicus (Rat))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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3.50E+3n/an/an/an/an/an/an/an/a



TBA

Curated by PDSP Ki Database




Mol Pharmacol 13: 454-73 (1977)


BindingDB Entry DOI: 10.7270/Q2TT4PFZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 55: 1101-7 (1999)


BindingDB Entry DOI: 10.7270/Q2DR2T2H
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



The R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database




Mol Pharmacol 59: 420-6 (2001)


Article DOI: 10.1111/cbdd.12713
BindingDB Entry DOI: 10.7270/Q26Q1VSR
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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US Patent
1.10E+4n/an/an/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


US Patent US9333199 (2016)


BindingDB Entry DOI: 10.7270/Q2639NMV
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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4.27E+4n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Displacement of [3H]histamine from human H4R expressed in Sf9 cells co-expressing RGS19, Galphai2 and Gbeta1gamma2 after 60 mins by liquid scintillat...


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Canalicular multispecific organic anion transporter 1


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Bile salt export pump


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL




Drug Metab Dispos 40: 2332-41 (2012)


Article DOI: 10.1124/dmd.112.047068
BindingDB Entry DOI: 10.7270/Q2ZP488M
More data for this
Ligand-Target Pair
Bile salt export pump (BSEP)


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a>1.35E+5n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards nicotinic acetylcholine receptor (nACh) using [3H](-)-nicotine as radioligand in rat brain


Toxicol Sci 118: 485-500 (2010)


Article DOI: 10.1093/toxsci/kfq269
BindingDB Entry DOI: 10.7270/Q26Q20JN
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by whole cell patch clamp technique


Bioorg Med Chem 16: 6252-60 (2008)


Article DOI: 10.1016/j.bmc.2008.04.028
BindingDB Entry DOI: 10.7270/Q25D8T25
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antihistaminic activity against Histamine H1 receptor was measured on isolated terminal part of guinea pig ileum


J Med Chem 33: 2970-6 (1990)


BindingDB Entry DOI: 10.7270/Q2Z89DMH
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Reverse proteomics research institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against potassium channel HERG


Bioorg Med Chem Lett 15: 2886-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.080
BindingDB Entry DOI: 10.7270/Q29S1S7C
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/an/a 11.8n/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Antagonist activity at H1R in guinea pig ileum assessed as inhibition of histamine-induced muscle contraction after 15 mins


Bioorg Med Chem Lett 21: 6274-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.001
BindingDB Entry DOI: 10.7270/Q28K7BB7
More data for this
Ligand-Target Pair
Adrenaline alpha1


(RAT)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT1-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Adrenaline alpha2


(RAT)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 3.20E+4n/an/an/an/an/an/a



Kyoto University Hospital

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 50 uM) in OCT2-expressing MDCK cells


Pharm Res 18: 1528-34 (2001)


BindingDB Entry DOI: 10.7270/Q28G8N0T
More data for this
Ligand-Target Pair
Sodium channel protein type I I alpha subunit


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL




J Med Chem 28: 381-8 (1985)


BindingDB Entry DOI: 10.7270/Q2Z321T8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.69E+4n/an/an/an/an/an/a



Gedeon Richter Ltd

Curated by ChEMBL


Assay Description
Inhibition of human Potassium channel HERG expressed in mammalian cells


Bioorg Med Chem Lett 13: 2773-5 (2003)


BindingDB Entry DOI: 10.7270/Q2QZ2BGZ
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of hERG K channel


Cardiovasc Res 91: 53-61 (2011)


Article DOI: 10.1093/cvr/cvr044
BindingDB Entry DOI: 10.7270/Q2NP264F
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Cavia porcellus)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.28E+5n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of calcium current (ICaL) measured using whole-cell patch clamp experiments in isolated guinea pig ventricular myocytes


Cardiovasc Res 91: 53-61 (2011)


Article DOI: 10.1093/cvr/cvr044
BindingDB Entry DOI: 10.7270/Q2NP264F
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 4.10E+4n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of sodium current measured using whole-cell patch clamp experiments in HEK-293 cells stably transfected with hNaV1.5 cDNA


Cardiovasc Res 91: 53-61 (2011)


Article DOI: 10.1093/cvr/cvr044
BindingDB Entry DOI: 10.7270/Q2NP264F
More data for this
Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1C


(Cavia porcellus)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.28E+5n/an/an/an/an/an/a



Jagiellonian University

Curated by ChEMBL


Assay Description
Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytes


J Appl Toxicol 32: 858-66 (2012)


Article DOI: 10.1002/jat.2784
BindingDB Entry DOI: 10.7270/Q2D79D5C
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 4


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.33E+5n/an/an/an/an/an/a



Amgen Inc

Curated by ChEMBL




Toxicol Sci 136: 216-41 (2013)

More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Affinities of the test compounds for peripheral human histamine H-4-receptors were assessed using receptor-binding assays. The specific binding of th...


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Histamine H4 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.10E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
Histamine H-4 Receptor Binding Assay


US Patent US9138431 (2015)


BindingDB Entry DOI: 10.7270/Q26W98WT
More data for this
Ligand-Target Pair
Phosphoehtnaolamine Methyltransferases 2 (PMT2)


(Caenorhabditis elegans)
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 1.30E+7n/an/an/an/a8.025



Washington University



Assay Description
A radiochemical assay was used to measure enzymatic activity.


J Biol Chem 286: 38060-8 (2011)


Article DOI: 10.1074/jbc.M111.290619
BindingDB Entry DOI: 10.7270/Q2GF0S39
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 2.57E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50017674
PNG
((2-Benzhydryloxy-ethyl)-dimethyl-amine | 2-(benzhy...)
Show SMILES CN(C)CCOC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C17H21NO/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17H,13-14H2,1-2H3
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n/an/a 8.40E+4n/an/an/an/an/an/a



BRIDGE PHARMA, INC.

US Patent


Assay Description
The specific binding of the radioactive ligand to the receptor was defined as the difference between total binding and nonspecific binding, determine...


US Patent US9333199 (2016)


BindingDB Entry DOI: 10.7270/Q2639NMV
More data for this
Ligand-Target Pair