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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50375373'   
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))
BDBM50375373
PNG
(CHEMBL129306)
Show SMILES OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
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Article
PubMed
0.589n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50375373
PNG
(CHEMBL129306)
Show SMILES OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
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Article
PubMed
0.741n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50375373
PNG
(CHEMBL129306)
Show SMILES OC1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C20H32N2O2/c23-19-9-14-22(15-10-19)17-18-5-7-20(8-6-18)24-16-4-13-21-11-2-1-3-12-21/h5-8,19,23H,1-4,9-17H2
PDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.720n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of histone H3 receptor


Bioorg Med Chem 16: 2968-73 (2008)


Article DOI: 10.1016/j.bmc.2007.12.048
BindingDB Entry DOI: 10.7270/Q27S7PMQ
More data for this
Ligand-Target Pair