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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 = 'BDBM50514095'   
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))
BDBM50514095
PNG
(CHEMBL4459723)
Show SMILES CCc1cc(nc(N)n1)N1CC(N)C1
Show InChI InChI=1S/C9H15N5/c1-2-7-3-8(13-9(11)12-7)14-4-6(10)5-14/h3,6H,2,4-5,10H2,1H3,(H2,11,12,13)
PDB

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UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
79n/an/an/an/an/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human H3R expressed in HEK293T cells incubated for 2 hrs by microbeta scintillation counting analysis


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
BindingDB Entry DOI: 10.7270/Q2M61PKJ
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50514095
PNG
(CHEMBL4459723)
Show SMILES CCc1cc(nc(N)n1)N1CC(N)C1
Show InChI InChI=1S/C9H15N5/c1-2-7-3-8(13-9(11)12-7)14-4-6(10)5-14/h3,6H,2,4-5,10H2,1H3,(H2,11,12,13)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 32n/an/an/an/a



Vrije Universiteit Amsterdam

Curated by ChEMBL


Assay Description
Agonist activity at human H3R expressed on HEK293T cells assessed as inhibition of forskolin-induced CRE-driven luciferase activity co-incubated with...


J Med Chem 62: 10848-10866 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01462
BindingDB Entry DOI: 10.7270/Q2M61PKJ
More data for this
Ligand-Target Pair