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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 = 'BDBM50441503'   
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


(Mus musculus)
BDBM50441503
PNG
(CHEMBL2436628)
Show SMILES Nc1cc(CN2CCC(F)(CC2)C(=O)N2CCC(CC2)N2CCc3ccc(cc3C2)C#N)ccn1
Show InChI InChI=1S/C27H33FN6O/c28-27(7-13-32(14-8-27)18-21-3-9-31-25(30)16-21)26(35)33-11-5-24(6-12-33)34-10-4-22-2-1-20(17-29)15-23(22)19-34/h1-3,9,15-16,24H,4-8,10-14,18-19H2,(H2,30,31)
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Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor after 30 mins by scintillation counting analysis


Bioorg Med Chem Lett 23: 6004-9 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.013
BindingDB Entry DOI: 10.7270/Q2FJ2J67
More data for this
Ligand-Target Pair