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Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Potassium voltage-gated channel subfamily KQT member 2' and Ligand = 'BDBM50130610'   
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
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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n/an/an/an/a 6.00E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Induced current in Xenopus laevis oocytes expressing cloned mKCNQ2 channels


J Med Chem 46: 3197-200 (2003)


Article DOI: 10.1021/jm034073f
BindingDB Entry DOI: 10.7270/Q2D21X11
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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n/an/an/an/a 3.28E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Whole-cell patch-clamp on recombinant mouse KCNQ2 channels expressed in HEK 293 cells at -40 mV


Bioorg Med Chem Lett 14: 1991-5 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.069
BindingDB Entry DOI: 10.7270/Q2MG7NZ3
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effect on outward potassium currents in whole-cell patchclamp assay of HEK 293 cells expressing cloned mouse KCNQ2 channel at -40 mV


Bioorg Med Chem Lett 15: 363-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.065
BindingDB Entry DOI: 10.7270/Q2J967KG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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n/an/an/an/a 690n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against Potassium voltage gated channel, KQT-like subfamily, member 2 expressed in SH-SY5Y human neuroblastoma cells


J Med Chem 46: 3778-81 (2003)


Article DOI: 10.1021/jm034111v
BindingDB Entry DOI: 10.7270/Q2RJ4K66
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Mus musculus)
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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n/an/an/an/a 3.20E+3n/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Induction of mouse KCNQ2 expressed in HEK293 cells at -40 mV holding potential by whole-cell patch clamp assay


Bioorg Med Chem Lett 23: 6188-91 (2013)


Article DOI: 10.1016/j.bmcl.2013.08.092
BindingDB Entry DOI: 10.7270/Q2F76F0Q
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50130610
PNG
((E)-N-[(S)-1-(3-Morpholin-4-yl-phenyl)-ethyl]-3-ph...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1)c1cccc(c1)N1CCOCC1
Show InChI InChI=1S/C21H24N2O2/c1-17(22-21(24)11-10-18-6-3-2-4-7-18)19-8-5-9-20(16-19)23-12-14-25-15-13-23/h2-11,16-17H,12-15H2,1H3,(H,22,24)/b11-10+/t17-/m0/s1
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Article
PubMed
n/an/an/an/a 3.00E+3n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Effective concentration against Potassium voltage gated channel KQT-like subfamily, member 2 expressed in HEK 293 cells


J Med Chem 46: 3778-81 (2003)


Article DOI: 10.1021/jm034111v
BindingDB Entry DOI: 10.7270/Q2RJ4K66
More data for this
Ligand-Target Pair