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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 = 'BDBM50013719'   
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))
BDBM50013719
PNG
(CHEMBL129785)
Show SMILES C(COc1ccc(CN2CCc3ccccc3C2)cc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2O/c1-4-14-25(15-5-1)16-6-18-27-24-11-9-21(10-12-24)19-26-17-13-22-7-2-3-8-23(22)20-26/h2-3,7-12H,1,4-6,13-20H2
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Article
PubMed
1.70n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50013719
PNG
(CHEMBL129785)
Show SMILES C(COc1ccc(CN2CCc3ccccc3C2)cc1)CN1CCCCC1
Show InChI InChI=1S/C24H32N2O/c1-4-14-25(15-5-1)16-6-18-27-24-11-9-21(10-12-24)19-26-17-13-22-7-2-3-8-23(22)20-26/h2-3,7-12H,1,4-6,13-20H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair