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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50217103   
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))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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8.30n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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51n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine 3 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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PubMed
4.47E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 1 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair
Histamine H2 receptor


(Homo sapiens (Human))
BDBM50217103
PNG
(CHEMBL104669)
Show SMILES O[C@@H]1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)C1
Show InChI InChI=1S/C20H22N2O2/c21-14-16-2-4-17(5-3-16)18-6-8-20(9-7-18)24-13-1-11-22-12-10-19(23)15-22/h2-9,19,23H,1,10-13,15H2/t19-/m1/s1
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PubMed
1.70E+4n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cortical Histamine 2 receptor


Bioorg Med Chem Lett 12: 3077-9 (2002)


BindingDB Entry DOI: 10.7270/Q2ZW1P38
More data for this
Ligand-Target Pair