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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 = 'BDBM50520934'   
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))
BDBM50520934
PNG
(CHEMBL4453108)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-2-19(25)17-5-7-18(8-6-17)26-16-4-11-23-12-14-24(15-13-23)20-21-9-3-10-22-20/h3,5-10H,2,4,11-16H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
3.39E+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))
BDBM50520934
PNG
(CHEMBL4453108)
Show SMILES CCC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-2-19(25)17-5-7-18(8-6-17)26-16-4-11-23-12-14-24(15-13-23)20-21-9-3-10-22-20/h3,5-10H,2,4,11-16H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.39E+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