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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 = 'BDBM50524381'   
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))
BDBM50524381
PNG
(CHEMBL4526205)
Show SMILES CC1CCCc2c1nc(N)nc2-c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3/c1-12-6-4-11-16-17(12)21-19(20)22-18(16)15-10-5-8-13-7-2-3-9-14(13)15/h2-3,5,7-10,12H,4,6,11H2,1H3,(H2,20,21,22)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.69E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human Gi-coupled H3 receptor expressed in HEK293T cells assessed as reduction in histamine-induced inhibition of f...


J Med Chem 62: 4638-4655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00241
BindingDB Entry DOI: 10.7270/Q23T9MN6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50524381
PNG
(CHEMBL4526205)
Show SMILES CC1CCCc2c1nc(N)nc2-c1cccc2ccccc12
Show InChI InChI=1S/C19H19N3/c1-12-6-4-11-16-17(12)21-19(20)22-18(16)15-10-5-8-13-7-2-3-9-14(13)15/h2-3,5,7-10,12H,4,6,11H2,1H3,(H2,20,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.71E+3n/an/an/an/an/an/a



Academy of Scientific and Innovative Research (AcSIR)

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human Gi-coupled H3 receptor expressed in HEK293T cells assessed as reduction in histamine-induced inhibition of f...


J Med Chem 62: 4638-4655 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00241
BindingDB Entry DOI: 10.7270/Q23T9MN6
More data for this
Ligand-Target Pair