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BDBM50177552 3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)methyl)phenoxy)-N,N-dimethylpropan-1-amine::CHEMBL203910

SMILES: CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1

InChI Key: InChIKey=ZEGYSPXGRXXXRY-UHFFFAOYSA-N

Data: 1 KI  1 IC50  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 3 hits for monomerid = 50177552   
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
HRH3


(GUINEA PIG)
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17n/an/an/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from guinea pig histamine H3 receptor


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 79.4n/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonistic activity against histamine H3 receptor in guinea pig ileum


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50177552
PNG
(3-(4-((4-((1H-imidazol-4-yl)methyl)piperidin-1-yl)...)
Show SMILES CN(C)CCCOc1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1
Show InChI InChI=1S/C21H32N4O/c1-24(2)10-3-13-26-21-6-4-19(5-7-21)16-25-11-8-18(9-12-25)14-20-15-22-17-23-20/h4-7,15,17-18H,3,8-14,16H2,1-2H3,(H,22,23)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



The Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 by human liver microsome assay


Bioorg Med Chem Lett 16: 989-94 (2006)


Article DOI: 10.1016/j.bmcl.2005.10.087
BindingDB Entry DOI: 10.7270/Q2SJ1K5X
More data for this
Ligand-Target Pair