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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50177547'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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Article
PubMed
3n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem Lett 16: 897-900 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.003
BindingDB Entry DOI: 10.7270/Q2H131M7
More data for this
Ligand-Target Pair
Histamine H3 receptor


(GUINEA PIG)
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
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PC sid
UniChem

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Article
PubMed
33n/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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50177547
PNG
(CHEMBL381717 | N,N-dimethyl-3-(4-(piperidin-1-ylme...)
Show SMILES CN(C)CCCOc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C17H28N2O/c1-18(2)11-6-14-20-17-9-7-16(8-10-17)15-19-12-4-3-5-13-19/h7-10H,3-6,11-15H2,1-2H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
45n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from rat histamine H3 receptor in rat cortical hemispheres


Bioorg Med Chem Lett 16: 897-900 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.003
BindingDB Entry DOI: 10.7270/Q2H131M7
More data for this
Ligand-Target Pair