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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50412447'   
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 H3 receptor


(Homo sapiens (Human))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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0.300n/an/an/an/an/an/an/an/a



BIOPROJET-BIOTECH

Curated by ChEMBL


Assay Description
Binding affinity to histamine H3 receptor (unknown origin)


Bioorg Med Chem 21: 4526-9 (2013)


Article DOI: 10.1016/j.bmc.2013.05.035
BindingDB Entry DOI: 10.7270/Q2J9699Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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0.339n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor transfected in SK-N-MC cells


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
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1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
PDB

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Article
PubMed
1.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in rat brain membranes


Bioorg Med Chem Lett 16: 4063-7 (2006)


Article DOI: 10.1016/j.bmcl.2006.04.092
BindingDB Entry DOI: 10.7270/Q2FX7D7Q
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412447
PNG
(CHEMBL380101)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C24H32N2/c1-3-15-25(16-4-1)19-21-7-11-23(12-8-21)24-13-9-22(10-14-24)20-26-17-5-2-6-18-26/h7-14H,1-6,15-20H2
PDB

Reactome pathway
KEGG

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antibodypedia
GoogleScholar
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PC sid
UniChem

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Article
PubMed
3.39n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair