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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 = 'BDBM50220104'   
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))
BDBM50220104
PNG
(CHEMBL444307)
Show SMILES CCOC(=O)N1CCN(CCCOc2ccc(cc2)C(=O)\C=C\c2cccnc2)CC1
Show InChI InChI=1S/C24H29N3O4/c1-2-30-24(29)27-16-14-26(15-17-27)13-4-18-31-22-9-7-21(8-10-22)23(28)11-6-20-5-3-12-25-19-20/h3,5-12,19H,2,4,13-18H2,1H3/b11-6+
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PC cid
PC sid
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Similars

PubMed
6.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for the rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 2031-4 (2002)


BindingDB Entry DOI: 10.7270/Q2MK6G21
More data for this
Ligand-Target Pair