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BDBM50126875 CHEMBL39951::Cyclopentyl-[4-(4-piperidin-1-ylmethyl-benzyloxy)-phenyl]-methanone; compound with oxalic acid

SMILES: O=C(C1CCCC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1

InChI Key: InChIKey=MSELWOCJPJLDIU-UHFFFAOYSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50126875   
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))
BDBM50126875
PNG
(CHEMBL39951 | Cyclopentyl-[4-(4-piperidin-1-ylmeth...)
Show SMILES O=C(C1CCCC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C25H31NO2/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26/h8-15,22H,1-7,16-19H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
157n/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)
BDBM50126875
PNG
(CHEMBL39951 | Cyclopentyl-[4-(4-piperidin-1-ylmeth...)
Show SMILES O=C(C1CCCC1)c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1
Show InChI InChI=1S/C25H31NO2/c27-25(22-6-2-3-7-22)23-12-14-24(15-13-23)28-19-21-10-8-20(9-11-21)18-26-16-4-1-5-17-26/h8-15,22H,1-7,16-19H2
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