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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50535231'   
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))
BDBM50535231
PNG
(CHEMBL4465338)
Show SMILES OC(=O)C(O)=O.CC1CCN(CCCCCCOc2cccc(c2)-c2ccccc2)CC1
Show InChI InChI=1S/C24H33NO/c1-21-14-17-25(18-15-21)16-7-2-3-8-19-26-24-13-9-12-23(20-24)22-10-5-4-6-11-22/h4-6,9-13,20-21H,2-3,7-8,14-19H2,1H3
PDB

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PC cid
PC sid
UniChem
Article
PubMed
159n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant full length H3R expressed in HEK293 cell membranes incubated for 90 mins by liqui...


Bioorg Med Chem 25: 5341-5354 (2017)


Article DOI: 10.1016/j.bmc.2017.07.058
BindingDB Entry DOI: 10.7270/Q29W0K0D
More data for this
Ligand-Target Pair