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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine H3 receptor' and Ligand = 'BDBM50297368'   
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))
BDBM50297368
PNG
(4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
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1n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Inverse agonist activity against human histamine H3 receptor by [35S]GTPgamma binding assay


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50297368
PNG
(4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
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1.58n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50297368
PNG
(4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
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1.58n/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))
BDBM50297368
PNG
(4-{4'-[2-((R)-2-Methyl-pyrrolidin-1-yl)-ethyl]-bip...)
Show SMILES C[C@@H]1CCCN1CCc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N1CCOCC1 |r|
Show InChI InChI=1S/C23H30N2O3S/c1-19-3-2-13-24(19)14-12-20-4-6-21(7-5-20)22-8-10-23(11-9-22)29(26,27)25-15-17-28-18-16-25/h4-11,19H,2-3,12-18H2,1H3/t19-/m1/s1
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3n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity to human histamine H3 receptor


J Med Chem 52: 5603-11 (2009)


Article DOI: 10.1021/jm900857n
BindingDB Entry DOI: 10.7270/Q2KW5G2F
More data for this
Ligand-Target Pair