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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 = 'BDBM50296184'   
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))
BDBM50296184
PNG
(CHEMBL564514 | cis-1-(3-(4-(3-phenyl-2,3-dihydrobe...)
Show SMILES C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1 |r|
Show InChI InChI=1S/C27H29NO2S/c1-2-9-22(10-3-1)27-26(30-24-11-4-5-12-25(24)31-27)21-13-15-23(16-14-21)29-20-8-19-28-17-6-7-18-28/h1-5,9-16,26-27H,6-8,17-20H2/t26-,27+/m1/s1
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PC cid
PC sid
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Article
PubMed
3n/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))
BDBM50296184
PNG
(CHEMBL564514 | cis-1-(3-(4-(3-phenyl-2,3-dihydrobe...)
Show SMILES C(COc1ccc(cc1)[C@H]1Oc2ccccc2S[C@H]1c1ccccc1)CN1CCCC1 |r|
Show InChI InChI=1S/C27H29NO2S/c1-2-9-22(10-3-1)27-26(30-24-11-4-5-12-25(24)31-27)21-13-15-23(16-14-21)29-20-8-19-28-17-6-7-18-28/h1-5,9-16,26-27H,6-8,17-20H2/t26-,27+/m1/s1
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antibodypedia
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PC sid
UniChem

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Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 4232-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.101
BindingDB Entry DOI: 10.7270/Q20G3K69
More data for this
Ligand-Target Pair