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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 = 'BDBM50299031'   
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))
BDBM50299031
PNG
(2-(1,4'-bipiperidin-1'-yl)-6-(2-methoxypyridin-4-y...)
Show SMILES COc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
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4n/an/an/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [125I]Iodoproxyfan from human recombinant histamine H3 receptor by Competitive binding assay


Bioorg Med Chem Lett 21: 5378-83 (2011)


Article DOI: 10.1016/j.bmcl.2011.07.006
BindingDB Entry DOI: 10.7270/Q2VX0GXK
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50299031
PNG
(2-(1,4'-bipiperidin-1'-yl)-6-(2-methoxypyridin-4-y...)
Show SMILES COc1cc(ccn1)-c1cnc2nc(sc2c1)N1CCC(CC1)N1CCCCC1
Show InChI InChI=1S/C22H27N5OS/c1-28-20-14-16(5-8-23-20)17-13-19-21(24-15-17)25-22(29-19)27-11-6-18(7-12-27)26-9-3-2-4-10-26/h5,8,13-15,18H,2-4,6-7,9-12H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells


Bioorg Med Chem Lett 19: 6176-80 (2009)


Article DOI: 10.1016/j.bmcl.2009.09.006
BindingDB Entry DOI: 10.7270/Q2NC618K
More data for this
Ligand-Target Pair