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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 = 'BDBM50386352'   
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))
BDBM50386352
PNG
(CHEMBL2048588)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23|
Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2
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PC cid
PC sid
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Article
PubMed
14n/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)
BDBM50386352
PNG
(CHEMBL2048588)
Show SMILES C1CCN(CC1)C1CCN(CC1)c1nnc(s1)N1CCC=C(C1)c1ncccn1 |c:23|
Show InChI InChI=1S/C21H29N7S/c1-2-11-26(12-3-1)18-7-14-27(15-8-18)20-24-25-21(29-20)28-13-4-6-17(16-28)19-22-9-5-10-23-19/h5-6,9-10,18H,1-4,7-8,11-16H2
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UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
44n/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