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BDBM50319527 (R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline::CHEMBL1084314

SMILES: C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C

InChI Key: InChIKey=RXMDPWZLESOEDF-CQSZACIVSA-N

Data: 4 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50319527   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histamine H3 receptor


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
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PubMed
0.200n/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 H3 receptor


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
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PubMed
0.200n/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


(Rattus norvegicus (rat))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]-N-alpha-methylhistamine from rat 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
PDB
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4.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells


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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319527
PNG
((R)-2-(3-methyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cn[nH]c1C |r|
Show InChI InChI=1S/C20H24N4/c1-14-4-3-10-24(14)11-9-16-5-7-19-17(12-16)6-8-20(22-19)18-13-21-23-15(18)2/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,21,23)/t14-/m1/s1
PDB
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PubMed
n/an/a 1.76E+4n/an/an/an/an/an/a



Bioprojet-Biotech

Curated by ChEMBL


Assay Description
Displacement of [3H]dofetilide from human recombinant ERG 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