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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 = 'BDBM50206227'   
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))
BDBM50206227
PNG
(6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3
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PC cid
PC sid
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Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at human histamine H3 receptor expressed in SK-N-MC cells assessed as effect on cAMP accumulation


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50206227
PNG
(6-(2-methoxyphenyl)-9-(3-(piperidin-1-yl)propoxy)-...)
Show SMILES COc1ccccc1C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12 |w:14.14,8.8|
Show InChI InChI=1S/C27H36N2O2/c1-30-27-11-4-3-9-23(27)25-20-29-17-7-10-26(29)24-19-21(12-13-22(24)25)31-18-8-16-28-14-5-2-6-15-28/h3-4,9,11-13,19,25-26H,2,5-8,10,14-18,20H2,1H3
PDB

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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33.5n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development L.L.C.

Curated by ChEMBL


Assay Description
Displacement of N-[3H]-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells


Bioorg Med Chem Lett 17: 2603-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.106
BindingDB Entry DOI: 10.7270/Q2HH6JR6
More data for this
Ligand-Target Pair