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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 = 'BDBM50220952'   
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))
BDBM50220952
PNG
(CHEMBL67368)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)Cn1ccnc1
Show InChI InChI=1S/C20H24N4/c1-2-7-16-18(9-3-1)23-19-10-5-4-8-17(19)20(16)22-11-6-13-24-14-12-21-15-24/h4-5,8,10,12,14-15H,1-3,6-7,9,11,13H2,(H,22,23)
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PC cid
PC sid
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Similars

PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards cloned human H3L receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50220952
PNG
(CHEMBL67368)
Show SMILES C(CNc1c2CCCCCc2nc2ccccc12)Cn1ccnc1
Show InChI InChI=1S/C20H24N4/c1-2-7-16-18(9-3-1)23-19-10-5-4-8-17(19)20(16)22-11-6-13-24-14-12-21-15-24/h4-5,8,10,12,14-15H,1-3,6-7,9,11,13H2,(H,22,23)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
<1.00E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 13: 2131-5 (2003)


BindingDB Entry DOI: 10.7270/Q2K073N9
More data for this
Ligand-Target Pair