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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 = 'BDBM50314306'   
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))
BDBM50314306
PNG
(1-(4-chlorophenyl)-3-(4-fluorobenzyl)-1-(1-(2-hydr...)
Show SMILES OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClFN3O2/c22-17-3-7-19(8-4-17)26(20-9-11-25(12-10-20)13-14-27)21(28)24-15-16-1-5-18(23)6-2-16/h1-8,20,27H,9-15H2,(H,24,28)
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PC sid
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Article
PubMed
86n/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))
BDBM50314306
PNG
(1-(4-chlorophenyl)-3-(4-fluorobenzyl)-1-(1-(2-hydr...)
Show SMILES OCCN1CCC(CC1)N(C(=O)NCc1ccc(F)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H25ClFN3O2/c22-17-3-7-19(8-4-17)26(20-9-11-25(12-10-20)13-14-27)21(28)24-15-16-1-5-18(23)6-2-16/h1-8,20,27H,9-15H2,(H,24,28)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
86n/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