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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Histamine receptor (H3)' and Ligand = 'BDBM50224187'   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha methyl histamine from human H3 receptor expressed in C6 cells


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/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 receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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0.260n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human cloned histamine H3 receptor


Bioorg Med Chem Lett 20: 3295-300 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.045
BindingDB Entry DOI: 10.7270/Q2XW4JZN
More data for this
Ligand-Target Pair
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50224187
PNG
((R)-2-(5-methyl-1-(pyridin-2-yl)-1H-pyrazol-4-yl)-...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cnn(c1C)-c1ccccn1
Show InChI InChI=1S/C25H27N5/c1-18-6-5-14-29(18)15-12-20-8-10-23-21(16-20)9-11-24(28-23)22-17-27-30(19(22)2)25-7-3-4-13-26-25/h3-4,7-11,13,16-18H,5-6,12,14-15H2,1-2H3/t18-/m1/s1
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n/an/an/an/a 1.41n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human histamine H3 receptor expressed in HEK239 cells assessed as reduction of basal [35S]GTPgammaS binding


J Med Chem 50: 5439-48 (2007)


Article DOI: 10.1021/jm0705051
BindingDB Entry DOI: 10.7270/Q25M65G0
More data for this
Ligand-Target Pair