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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 = 'BDBM50520941'   
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))
BDBM50520941
PNG
(CHEMBL4519189)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C19H24N4O2/c1-16(24)17-4-6-18(7-5-17)25-15-3-10-22-11-13-23(14-12-22)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.32E+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))
BDBM50520941
PNG
(CHEMBL4519189)
Show SMILES CC(=O)c1ccc(OCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C19H24N4O2/c1-16(24)17-4-6-18(7-5-17)25-15-3-10-22-11-13-23(14-12-22)19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.32E+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