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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50223039'   
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))
BDBM50223039
PNG
(CHEMBL27209)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C26H34N2O3/c1-21-11-14-27(15-12-21)13-2-18-31-25-9-7-23(8-10-25)22-3-5-24(6-4-22)26(29)28-16-19-30-20-17-28/h3-10,21H,2,11-20H2,1H3
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PC cid
PC sid
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Similars

PubMed
7.20n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity for human recombinant H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50223039
PNG
(CHEMBL27209)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCOCC2)CC1
Show InChI InChI=1S/C26H34N2O3/c1-21-11-14-27(15-12-21)13-2-18-31-25-9-7-23(8-10-25)22-3-5-24(6-4-22)26(29)28-16-19-30-20-17-28/h3-10,21H,2,11-20H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
8.70n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical H3 receptor


Bioorg Med Chem Lett 13: 1325-8 (2003)


BindingDB Entry DOI: 10.7270/Q2HM59NM
More data for this
Ligand-Target Pair