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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 = 'BDBM50383445'   
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))
BDBM50383445
PNG
(CHEMBL2031605)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)-c1cccc2cccnc12
Show InChI InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK cell membranes after 30 mins by scintillati...


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Mus musculus)
BDBM50383445
PNG
(CHEMBL2031605)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)-c1cccc2cccnc12
Show InChI InChI=1S/C21H25N5S/c1-2-12-25(13-3-1)17-9-14-26(15-10-17)21-24-23-20(27-21)18-8-4-6-16-7-5-11-22-19(16)18/h4-8,11,17H,1-3,9-10,12-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
7.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from mouse histamine H3 receptor


Bioorg Med Chem Lett 22: 3354-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.076
BindingDB Entry DOI: 10.7270/Q2DN462S
More data for this
Ligand-Target Pair