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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 = 'BDBM50358568'   
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))
BDBM50358568
PNG
(CHEMBL1923728)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1
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PC cid
PC sid
UniChem

Similars

Article
PubMed
7.70n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50358568
PNG
(CHEMBL1923728)
Show SMILES C[C@@H]1CCCN1CCCOc1ccc(cc1)-c1ccc(=O)[nH]c1 |r|
Show InChI InChI=1S/C19H24N2O2/c1-15-4-2-11-21(15)12-3-13-23-18-8-5-16(6-9-18)17-7-10-19(22)20-14-17/h5-10,14-15H,2-4,11-13H2,1H3,(H,20,22)/t15-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells


Bioorg Med Chem Lett 21: 7076-80 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.091
BindingDB Entry DOI: 10.7270/Q26H4HVK
More data for this
Ligand-Target Pair