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BDBM50126888 1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-piperazine; compound with oxalic acid::CHEMBL193978::CHEMBL416053

SMILES: C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1

InChI Key: InChIKey=IBFTUIVACGOPQU-UHFFFAOYSA-N

Data: 3 KI  1 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50126888   
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))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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PC sid
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Article
PubMed
2.80n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe-Universität

Curated by ChEMBL


Assay Description
Displacement of [125I]iodoproxyfan from human histamine H3 receptor expressed in HEL293 cells


Bioorg Med Chem Lett 19: 2172-5 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.110
BindingDB Entry DOI: 10.7270/Q2H41RBM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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Article
PubMed
2.80n/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 H3 receptor


(Homo sapiens (Human))
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
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Article
PubMed
2.82n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Mean binding affinity for human H3 receptor


J Med Chem 48: 2229-38 (2005)


Article DOI: 10.1021/jm049212n
BindingDB Entry DOI: 10.7270/Q2GB258T
More data for this
Ligand-Target Pair
HRH3


(GUINEA PIG)
BDBM50126888
PNG
(1-[4-(4-Piperidin-1-ylmethyl-benzyloxy)-benzyl]-pi...)
Show SMILES C(Oc1ccc(CN2CCCCC2)cc1)c1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C25H34N2O/c1-3-15-26(16-4-1)19-22-7-9-24(10-8-22)21-28-25-13-11-23(12-14-25)20-27-17-5-2-6-18-27/h7-14H,1-6,15-21H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 38.0n/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