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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 = 'BDBM50386358'   
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))
BDBM50386358
PNG
(CHEMBL2048582)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2
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PC cid
PC sid
UniChem
Article
PubMed
75n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50386358
PNG
(CHEMBL2048582)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCCC(C1)c1ccccc1
Show InChI InChI=1S/C23H33N5S/c1-3-8-19(9-4-1)20-10-7-15-28(18-20)23-25-24-22(29-23)27-16-11-21(12-17-27)26-13-5-2-6-14-26/h1,3-4,8-9,20-21H,2,5-7,10-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
110n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from mouse recombinant histamine H3 receptor after 30 mins by scintillation counting


ACS Med Chem Lett 3: 198-202 (2012)


Article DOI: 10.1021/ml200250t
BindingDB Entry DOI: 10.7270/Q2736S0M
More data for this
Ligand-Target Pair