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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 = 'BDBM50217418'   
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))
BDBM50217418
PNG
(CHEMBL421026)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
Show InChI InChI=1S/C22H25N3O/c23-12-17-2-4-18(5-3-17)19-6-8-22(9-7-19)26-11-1-10-25-15-20-13-24-14-21(20)16-25/h2-9,20-21,24H,1,10-11,13-16H2
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PC cid
PC sid
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Similars

PubMed
15n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217418
PNG
(CHEMBL421026)
Show SMILES N#Cc1ccc(cc1)-c1ccc(OCCCN2CC3CNCC3C2)cc1
Show InChI InChI=1S/C22H25N3O/c23-12-17-2-4-18(5-3-17)19-6-8-22(9-7-19)26-11-1-10-25-15-20-13-24-14-21(20)16-25/h2-9,20-21,24H,1,10-11,13-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
66n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair