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BDBM50126884 1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-ethanone; compound with oxalic acid::CHEMBL39603

SMILES: CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1

InChI Key: InChIKey=ARBBIPRORVNXCC-UHFFFAOYSA-N

Data: 1 KI  1 IC50  3 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50126884   
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))
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
84n/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
Histamine H1 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.57E+3n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H1 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
HRH3


(GUINEA PIG)
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 61.7n/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
Histamine N-methyltransferase


(Rattus norvegicus)
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.04E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Compound was tested against histamine N-methyl-transferase in rat brain [EC 2.1.1.8](relative weak affinity on rat enzyme)


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
Histamine H2 receptor


(Cavia porcellus (domestic guinea pig))
BDBM50126884
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-phenyl]-et...)
Show SMILES CC(=O)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C21H25NO2/c1-17(23)20-9-11-21(12-10-20)24-16-19-7-5-18(6-8-19)15-22-13-3-2-4-14-22/h5-12H,2-4,13-16H2,1H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.02E+4n/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Potency at histamine H2 receptor subtype, was tested on guinea pig right atrium


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