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2 similar compounds to monomer 50319510

Compile data set for download or QSAR
Wt: 341.4
BDBM50319501
Wt: 368.4
BDBM50319555

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50319501,50319555   
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 receptor (H3)


(Homo sapiens (Human))
BDBM50319555
PNG
((R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C24H24N4/c1-17-3-2-13-28(17)14-10-18-4-7-21-19(15-18)5-8-22(27-21)20-6-9-23-24(16-20)26-12-11-25-23/h4-9,11-12,15-17H,2-3,10,13-14H2,1H3/t17-/m1/s1
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0.370n/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))
BDBM50319555
PNG
((R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C24H24N4/c1-17-3-2-13-28(17)14-10-18-4-7-21-19(15-18)5-8-22(27-21)20-6-9-23-24(16-20)26-12-11-25-23/h4-9,11-12,15-17H,2-3,10,13-14H2,1H3/t17-/m1/s1
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0.400n/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))
BDBM50319501
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
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0.690n/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))
BDBM50319501
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
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0.700n/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))
BDBM50319555
PNG
((R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C24H24N4/c1-17-3-2-13-28(17)14-10-18-4-7-21-19(15-18)5-8-22(27-21)20-6-9-23-24(16-20)26-12-11-25-23/h4-9,11-12,15-17H,2-3,10,13-14H2,1H3/t17-/m1/s1
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1.70n/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
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50319501
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
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3.90n/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))
BDBM50319501
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
PDB
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780n/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))
BDBM50319555
PNG
((R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C24H24N4/c1-17-3-2-13-28(17)14-10-18-4-7-21-19(15-18)5-8-22(27-21)20-6-9-23-24(16-20)26-12-11-25-23/h4-9,11-12,15-17H,2-3,10,13-14H2,1H3/t17-/m1/s1
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2.10E+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))
BDBM50319555
PNG
((R)-6-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc2nccnc2c1
Show InChI InChI=1S/C24H24N4/c1-17-3-2-13-28(17)14-10-18-4-7-21-19(15-18)5-8-22(27-21)20-6-9-23-24(16-20)26-12-11-25-23/h4-9,11-12,15-17H,2-3,10,13-14H2,1H3/t17-/m1/s1
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n/an/a 8.40E+3n/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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319501
PNG
((R)-4-(6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C23H23N3/c1-17-3-2-13-26(17)14-12-18-6-10-23-21(15-18)9-11-22(25-23)20-7-4-19(16-24)5-8-20/h4-11,15,17H,2-3,12-14H2,1H3/t17-/m1/s1
PDB
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n/an/a 3.20E+3n/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