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SMILES: CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1

InChI Key: InChIKey=INCQBJSJOJNAKQ-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50520933   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520933
PNG
(CHEMBL4467220)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-17(25)18-5-7-19(8-6-18)26-16-3-2-11-23-12-14-24(15-13-23)20-21-9-4-10-22-20/h4-10H,2-3,11-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
1.23E+3n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50520933
PNG
(CHEMBL4467220)
Show SMILES CC(=O)c1ccc(OCCCCN2CCN(CC2)c2ncccn2)cc1
Show InChI InChI=1S/C20H26N4O2/c1-17(25)18-5-7-19(8-6-18)26-16-3-2-11-23-12-14-24(15-13-23)20-21-9-4-10-22-20/h4-10H,2-3,11-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.23E+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
More data for this
Ligand-Target Pair