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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Histamine H1 receptor' and Ligand = 'BDBM50121205'   
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))
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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2.40E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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2.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]mepyramine from human histamine H1 receptor expressed in sf9 insect cell membranes co-expressing RGS4 incubated for 60 mins by mi...


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113190
BindingDB Entry DOI: 10.7270/Q2TF0245
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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6.00E+3n/an/an/an/an/an/an/an/a



Janssen Research& Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to histamine H1 receptor (unknown origin)


J Med Chem 58: 7119-27 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00516
BindingDB Entry DOI: 10.7270/Q20G3MZK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
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/a 4.5n/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI: 10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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PubMed
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


(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