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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 = 'BDBM50496279'   
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))
BDBM50496279
PNG
(CHEMBL3127703)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H41N3O2/c28-23(27-15-13-26(14-16-27)20-5-3-1-2-4-6-20)22-19-24(22)9-11-25(12-10-24)21-7-17-29-18-8-21/h20-22H,1-19H2
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
65n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay


J Med Chem 57: 733-58 (2014)


Article DOI: 10.1021/jm4014828
BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50496279
PNG
(CHEMBL3127703)
Show SMILES O=C(C1CC11CCN(CC1)C1CCOCC1)N1CCN(CC1)C1CCCCCC1
Show InChI InChI=1S/C24H41N3O2/c28-23(27-15-13-26(14-16-27)20-5-3-1-2-4-6-20)22-19-24(22)9-11-25(12-10-24)21-7-17-29-18-8-21/h20-22H,1-19H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 74n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor long form expressed in CHOK1 cells assessed as inhibition of R-alpha-methylhistamine-induced [35S]...


J Med Chem 57: 733-58 (2014)


Article DOI: 10.1021/jm4014828
BindingDB Entry DOI: 10.7270/Q2FT8Q13
More data for this
Ligand-Target Pair