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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 = 'BDBM50412462'   
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


(Rattus norvegicus (rat))
BDBM50412462
PNG
(CHEMBL511850)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2
PDB

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KEGG

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
15.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


Assay Description
Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50412462
PNG
(CHEMBL511850)
Show SMILES C(N1CCCCC1)c1ccc(cc1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C23H30N2O/c1-2-12-24(13-3-1)18-20-4-8-22(9-5-20)23-10-6-21(7-11-23)19-25-14-16-26-17-15-25/h4-11H,1-3,12-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
19.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Parma

Curated by ChEMBL


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


Bioorg Med Chem 16: 9911-24 (2008)


Article DOI: 10.1016/j.bmc.2008.10.029
BindingDB Entry DOI: 10.7270/Q2FQ9XVP
More data for this
Ligand-Target Pair