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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 = 'BDBM50222955'   
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))
BDBM50222955
PNG
(CHEMBL27343)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-18(2)24-23(26)21-6-4-19(5-7-21)20-8-10-22(11-9-20)28-15-3-12-25-13-16-27-17-14-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,26)
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PC cid
PC sid
UniChem

Similars

PubMed
39n/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))
BDBM50222955
PNG
(CHEMBL27343)
Show SMILES CC(C)NC(=O)c1ccc(cc1)-c1ccc(OCCCN2CCOCC2)cc1
Show InChI InChI=1S/C23H30N2O3/c1-18(2)24-23(26)21-6-4-19(5-7-21)20-8-10-22(11-9-20)28-15-3-12-25-13-16-27-17-14-25/h4-11,18H,3,12-17H2,1-2H3,(H,24,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
135n/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