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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50314291'   
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))
BDBM50314291
PNG
(3-benzyl-1-(4-bromophenyl)-1-(1-(pyridazin-4-ylmet...)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccnnc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26BrN5O/c25-21-6-8-22(9-7-21)30(24(31)26-16-19-4-2-1-3-5-19)23-11-14-29(15-12-23)18-20-10-13-27-28-17-20/h1-10,13,17,23H,11-12,14-16,18H2,(H,26,31)
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Article
PubMed
10n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50314291
PNG
(3-benzyl-1-(4-bromophenyl)-1-(1-(pyridazin-4-ylmet...)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccnnc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H26BrN5O/c25-21-6-8-22(9-7-21)30(24(31)26-16-19-4-2-1-3-5-19)23-11-14-29(15-12-23)18-20-10-13-27-28-17-20/h1-10,13,17,23H,11-12,14-16,18H2,(H,26,31)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
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PC sid
UniChem

Similars

Article
PubMed
10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant histamine 3 receptor


Bioorg Med Chem Lett 20: 2359-64 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.121
BindingDB Entry DOI: 10.7270/Q2Z31ZSM
More data for this
Ligand-Target Pair