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4 similar compounds to monomer 50319509

Compile data set for download or QSAR
Wt: 351.8
BDBM50319511
Wt: 331.4
BDBM50319512
Wt: 345.4
BDBM50319513
Wt: 318.4
BDBM50319533

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 50319511,50319512,50319513,50319533   
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))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.150n/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))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.150n/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))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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0.190n/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))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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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 receptor (H3)


(Homo sapiens (Human))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.25n/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))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.25n/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))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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0.360n/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))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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0.360n/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))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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0.450n/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))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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0.480n/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))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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0.660n/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))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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2.20n/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))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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870n/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))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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5.00E+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))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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6.60E+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))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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1.00E+4n/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))
BDBM50319512
PNG
((R)-2-(6-methylpyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1
Show InChI InChI=1S/C22H25N3/c1-16-5-7-20(15-23-16)22-10-8-19-14-18(6-9-21(19)24-22)11-13-25-12-3-4-17(25)2/h5-10,14-15,17H,3-4,11-13H2,1-2H3/t17-/m1/s1
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n/an/a 2.64E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319511
PNG
((R)-2-(6-chloropyridin-3-yl)-6-(2-(2-methylpyrroli...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(Cl)nc1
Show InChI InChI=1S/C21H22ClN3/c1-15-3-2-11-25(15)12-10-16-4-7-19-17(13-16)5-8-20(24-19)18-6-9-21(22)23-14-18/h4-9,13-15H,2-3,10-12H2,1H3/t15-/m1/s1
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n/an/a 3.60E+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))
BDBM50319513
PNG
((R)-2-(2,6-dimethylpyridin-3-yl)-6-(2-(2-methylpyr...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1ccc(C)nc1C
Show InChI InChI=1S/C23H27N3/c1-16-6-9-21(18(3)24-16)23-11-8-20-15-19(7-10-22(20)25-23)12-14-26-13-4-5-17(26)2/h6-11,15,17H,4-5,12-14H2,1-3H3/t17-/m1/s1
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n/an/a 2.00E+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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50319533
PNG
((R)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)-2-(pyrimi...)
Show SMILES C[C@@H]1CCCN1CCc1ccc2nc(ccc2c1)-c1cncnc1
Show InChI InChI=1S/C20H22N4/c1-15-3-2-9-24(15)10-8-16-4-6-19-17(11-16)5-7-20(23-19)18-12-21-14-22-13-18/h4-7,11-15H,2-3,8-10H2,1H3/t15-/m1/s1
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n/an/a 4.00E+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