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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50217411   
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


(Rattus norvegicus (rat))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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PubMed
9.80n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at rat cortical Histamine H3 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


(Homo sapiens (Human))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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14n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity at human cloned Histamine H3 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))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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PubMed
427n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity of human cortical histamine H1 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))
BDBM50217411
PNG
(CHEMBL323562)
Show SMILES CC1CCN(CCCOc2ccc(cc2)-c2ccc(cc2)C#N)CC1
Show InChI InChI=1S/C22H26N2O/c1-18-11-14-24(15-12-18)13-2-16-25-22-9-7-21(8-10-22)20-5-3-19(17-23)4-6-20/h3-10,18H,2,11-16H2,1H3
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PubMed
9.12E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to the human cortical histamine H2 receptor


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


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