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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50246289'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
0.219n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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4.20n/an/an/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor by competitive binding assay


Bioorg Med Chem Lett 19: 4075-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.025
BindingDB Entry DOI: 10.7270/Q2GQ6XSZ
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50246289
PNG
(3-methyl-2-(4-(3-(pyrrolidin-1-yl)propoxy)phenyl)q...)
Show SMILES Cn1c(nc2ccccc2c1=O)-c1ccc(OCCCN2CCCC2)cc1
Show InChI InChI=1S/C22H25N3O2/c1-24-21(23-20-8-3-2-7-19(20)22(24)26)17-9-11-18(12-10-17)27-16-6-15-25-13-4-5-14-25/h2-3,7-12H,4-6,13-16H2,1H3
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PubMed
n/an/a 0.680n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at human histamine H3 receptor assessed as inhibition of R-alpha-methylhistamine-induced [35S]GTPgammaS binding


Bioorg Med Chem Lett 18: 6041-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.10.034
BindingDB Entry DOI: 10.7270/Q2QJ7H5R
More data for this
Ligand-Target Pair