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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 = 'BDBM50483133'   
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))
BDBM50483133
PNG
(Clobenprobit)
Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)
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PC cid
PC sid
UniChem
Article
PubMed
2.5n/an/an/an/an/an/an/an/a



University of Regensburg

Curated by ChEMBL


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


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50483133
PNG
(Clobenprobit)
Show SMILES Clc1ccc(CNC(=N)SCCCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C15H19ClN4S/c16-13-6-4-12(5-7-13)9-19-15(17)21-8-2-1-3-14-10-18-11-20-14/h4-7,10-11H,1-3,8-9H2,(H2,17,19)(H,18,20)
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 0.398n/an/an/an/a



University of Regensburg

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in human SK-N-MC cells by CRE-beta galactosidase reporter gene assay


Bioorg Med Chem Lett 20: 7191-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.041
BindingDB Entry DOI: 10.7270/Q2Q81GX5
More data for this
Ligand-Target Pair