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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50493178'   
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))
BDBM50493178
PNG
(CHEMBL2419581)
Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 90 to 120 mins by liquid scintillatio...


Bioorg Med Chem 21: 5936-44 (2013)


Article DOI: 10.1016/j.bmc.2013.07.051
BindingDB Entry DOI: 10.7270/Q23X89K7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50493178
PNG
(CHEMBL2419581)
Show SMILES C(Cc1c[nH]c2ccccc12)Nc1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H25N3O/c1-2-4-21-20(3-1)18(15-23-21)9-10-22-19-7-5-17(6-8-19)16-24-11-13-25-14-12-24/h1-8,15,22-23H,9-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed by forskolin induced cAMP response element activation after 5 h...


Bioorg Med Chem 21: 5936-44 (2013)


Article DOI: 10.1016/j.bmc.2013.07.051
BindingDB Entry DOI: 10.7270/Q23X89K7
More data for this
Ligand-Target Pair