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BDBM50126900 1-[4-(4-Azepan-1-ylmethyl-benzyloxy)-phenyl]-ethanone; hydrochloride::CHEMBL544243

SMILES: CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1

InChI Key: InChIKey=XDGBVSLELDVAMA-UHFFFAOYSA-N

Data: 1 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50126900   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50126900
PNG
(1-[4-(4-Azepan-1-ylmethyl-benzyloxy)-phenyl]-ethan...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C22H27NO2/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23/h6-13H,2-5,14-17H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
37n/an/an/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressing CHO cells


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50126900
PNG
(1-[4-(4-Azepan-1-ylmethyl-benzyloxy)-phenyl]-ethan...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCCC3)cc2)cc1
Show InChI InChI=1S/C22H27NO2/c1-18(24)21-10-12-22(13-11-21)25-17-20-8-6-19(7-9-20)16-23-14-4-2-3-5-15-23/h6-13H,2-5,14-17H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 30.9n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H3 receptor subtype, was tested on guinea pig right ileum


J Med Chem 46: 1523-30 (2003)


Article DOI: 10.1021/jm021084k
BindingDB Entry DOI: 10.7270/Q2C24X5N
More data for this
Ligand-Target Pair