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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 = 'BDBM50405908'   
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))
BDBM50405908
PNG
(CHEMBL4162840)
Show SMILES CCC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C18H30O3S/c1-2-3-12-22-13-15-14(16-10-11-17(15)21-16)8-6-4-5-7-9-18(19)20/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,19,20)/b6-4-
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PC cid
PC sid
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Similars

Article
PubMed
2.26E+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))
BDBM50405908
PNG
(CHEMBL4162840)
Show SMILES CCC(C)(C)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C18H30O3S/c1-2-3-12-22-13-15-14(16-10-11-17(15)21-16)8-6-4-5-7-9-18(19)20/h4,6,14-17H,2-3,5,7-13H2,1H3,(H,19,20)/b6-4-
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.26E+3n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]Nalpha-methylhistamine from recombinant human H3 receptor expressed in HEK293 cells after 90 mins by liquid scintillation countin...


Eur J Med Chem 152: 223-234 (2018)


Article DOI: 10.1016/j.ejmech.2018.04.043
BindingDB Entry DOI: 10.7270/Q2697632
More data for this
Ligand-Target Pair