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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 = 'BDBM50535226'   
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))
BDBM50535226
PNG
(CHEMBL4445028)
Show SMILES OC(=O)C(O)=O.C(CCCN1CCCCCC1)CCOc1cccc(c1)-c1ccccc1
Show InChI InChI=1S/C24H33NO/c1-2-9-18-25(17-8-1)19-10-3-4-11-20-26-24-16-12-15-23(21-24)22-13-6-5-7-14-22/h5-7,12-16,21H,1-4,8-11,17-20H2
PDB

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PC cid
PC sid
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Article
PubMed
18n/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