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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 = 'BDBM50520940'   
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))
BDBM50520940
PNG
(CHEMBL4452580)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-18(25)19-7-9-20(10-8-19)26-17-5-4-12-23-13-15-24(16-14-23)21-6-2-3-11-22-21/h2-3,6-11H,4-5,12-17H2,1H3
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to at human H3 receptor


Citation and Details

Article DOI: 10.1016/j.bmcl.2020.127522
BindingDB Entry DOI: 10.7270/Q29K4FVC
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520940
PNG
(CHEMBL4452580)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ccccn2)cc1
Show InChI InChI=1S/C21H27N3O2/c1-18(25)19-7-9-20(10-8-19)26-17-5-4-12-23-13-15-24(16-14-23)21-6-2-3-11-22-21/h2-3,6-11H,4-5,12-17H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.70E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from full length recombinant human H3R expressed in HEK293 cell membranes after 90 mins by beta scintilla...


Bioorg Med Chem 26: 6056-6066 (2018)


Article DOI: 10.1016/j.bmc.2018.11.010
BindingDB Entry DOI: 10.7270/Q2NV9NNX
More data for this
Ligand-Target Pair