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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 = 'BDBM50217100'   
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


(Rattus norvegicus (rat))
BDBM50217100
PNG
(CHEMBL105483)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)-c2ccc(OC)cc2)CC1
Show InChI InChI=1S/C23H30N2O4/c1-3-28-23(26)25-16-14-24(15-17-25)13-4-18-29-22-11-7-20(8-12-22)19-5-9-21(27-2)10-6-19/h5-12H,3-4,13-18H2,1-2H3
PDB

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PC cid
PC sid
UniChem
PubMed
257n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair