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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 = 'BDBM50365049'   
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


(Rattus norvegicus (rat))
BDBM50365049
PNG
(CHEMBL1951058)
Show SMILES COC[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r|
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m0/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50365049
PNG
(CHEMBL1951058)
Show SMILES COC[C@@H]1CCCN1CCCOc1ccc(cc1)C(=O)CN1CCOCC1 |r|
Show InChI InChI=1S/C21H32N2O4/c1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22/h5-8,19H,2-4,9-17H2,1H3/t19-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>3.00E+3n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor


Bioorg Med Chem Lett 22: 1546-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.01.004
BindingDB Entry DOI: 10.7270/Q2C24WWN
More data for this
Ligand-Target Pair