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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 = 'BDBM50246383'   
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))
BDBM50246383
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-30-23(29-22-20(24(30)32)6-3-7-21(22)25(26,27)28)16-8-10-18(11-9-16)33-19-12-14-31(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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PC cid
PC sid
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Similars

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 H3 receptor


(Homo sapiens (Human))
BDBM50246383
PNG
(2-(4-(1-cyclobutylpiperidin-4-yloxy)phenyl)-3-meth...)
Show SMILES Cn1c(nc2c(cccc2c1=O)C(F)(F)F)-c1ccc(OC2CCN(CC2)C2CCC2)cc1
Show InChI InChI=1S/C25H26F3N3O2/c1-30-23(29-22-20(24(30)32)6-3-7-21(22)25(26,27)28)16-8-10-18(11-9-16)33-19-12-14-31(15-13-19)17-4-2-5-17/h3,6-11,17,19H,2,4-5,12-15H2,1H3
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.700n/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