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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50314290   
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))
BDBM50314290
PNG
(3-benzyl-1-(4-bromophenyl)-1-(1-(pyridin-4-ylmethy...)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccncc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H27BrN4O/c26-22-6-8-23(9-7-22)30(25(31)28-18-20-4-2-1-3-5-20)24-12-16-29(17-13-24)19-21-10-14-27-15-11-21/h1-11,14-15,24H,12-13,16-19H2,(H,28,31)
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Article
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2n/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))
BDBM50314290
PNG
(3-benzyl-1-(4-bromophenyl)-1-(1-(pyridin-4-ylmethy...)
Show SMILES Brc1ccc(cc1)N(C1CCN(Cc2ccncc2)CC1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C25H27BrN4O/c26-22-6-8-23(9-7-22)30(25(31)28-18-20-4-2-1-3-5-20)24-12-16-29(17-13-24)19-21-10-14-27-15-11-21/h1-11,14-15,24H,12-13,16-19H2,(H,28,31)
PDB

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UniChem

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Article
PubMed
2n/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