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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 = 'BDBM50013722'   
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))
BDBM50013722
PNG
(CHEMBL3264546)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C23H36N2O3/c1-2-27-23(26)21-11-16-25(17-12-21)19-20-7-9-22(10-8-20)28-18-6-15-24-13-4-3-5-14-24/h7-10,21H,2-6,11-19H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.229n/an/an/an/an/an/an/an/a



Johann Wolfgang Goethe University

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK293 cells after 90 mins


Bioorg Med Chem Lett 24: 2236-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.03.098
BindingDB Entry DOI: 10.7270/Q2MP54TD
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50013722
PNG
(CHEMBL3264546)
Show SMILES CCOC(=O)C1CCN(Cc2ccc(OCCCN3CCCCC3)cc2)CC1
Show InChI InChI=1S/C23H36N2O3/c1-2-27-23(26)21-11-16-25(17-12-21)19-20-7-9-22(10-8-20)28-18-6-15-24-13-4-3-5-14-24/h7-10,21H,2-6,11-19H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.275n/an/an/an/an/an/an/an/a


TBA

Assay Description
Displacement of [3H]UR-P1294 from human H3R receptor expressed in HEK293 cells by radioligand competition binding assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01089
BindingDB Entry DOI: 10.7270/Q2TB1BTS
More data for this
Ligand-Target Pair