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PubMed code 24070783

Compile data set for download or QSAR
Found 9 hits of Enzyme Inhibition Constant Data   
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
Voltage-gated potassium channel subunit Kv7.2


(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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50143558
PNG
(CHEMBL41355 | EZOGABINE | N-(2-amino-4-(4-fluorobe...)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N
Show InChI InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21)
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n/an/an/an/a 1.30E+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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50410077
PNG
(CHEMBL180886)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1Cl)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H16ClNO3/c1-12(14-6-8-16-17(10-14)23-11-22-16)20-18(21)9-7-13-4-2-3-5-15(13)19/h2-10,12H,11H2,1H3,(H,20,21)/b9-7+/t12-/m0/s1
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n/an/an/an/a 20n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50442468
PNG
(CHEMBL2440364)
Show SMILES C[C@@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1 |r|
Show InChI InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m1/s1
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n/an/an/an/a>1.00E+4n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50442471
PNG
(CHEMBL2440363)
Show SMILES C[C@H](NC(=O)\C=C\c1cc(F)ccc1F)c1cccc(Oc2ccncc2)c1 |r|
Show InChI InChI=1S/C22H18F2N2O2/c1-15(26-22(27)8-5-17-13-18(23)6-7-21(17)24)16-3-2-4-20(14-16)28-19-9-11-25-12-10-19/h2-15H,1H3,(H,26,27)/b8-5+/t15-/m0/s1
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n/an/an/an/a 0.900n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50442470
PNG
(CHEMBL401942)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1
Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m0/s1
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n/an/an/an/a 2.40n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50442469
PNG
(CHEMBL2440362)
Show SMILES C[C@@H](NC(=O)\C=C\c1ccccc1F)c1cccc(Oc2cccnc2)c1 |r|
Show InChI InChI=1S/C22H19FN2O2/c1-16(25-22(26)12-11-17-6-2-3-10-21(17)23)18-7-4-8-19(14-18)27-20-9-5-13-24-15-20/h2-16H,1H3,(H,25,26)/b12-11+/t16-/m1/s1
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n/an/an/an/a>1.00E+4n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50410081
PNG
(CHEMBL361184)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1cccc(c1)-c1ccc(F)nc1
Show InChI InChI=1S/C22H18F2N2O/c1-15(26-22(27)12-10-16-5-2-3-8-20(16)23)17-6-4-7-18(13-17)19-9-11-21(24)25-14-19/h2-15H,1H3,(H,26,27)/b12-10+/t15-/m0/s1
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n/an/an/an/a 10n/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
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv7.2


(Mus musculus)
BDBM50143560
PNG
((E)-N-[(S)-1-(4-Cyclopropylmethyl-3,4-dihydro-2H-b...)
Show SMILES C[C@H](NC(=O)\C=C\c1ccccc1F)c1ccc2OCCN(CC3CC3)c2c1
Show InChI InChI=1S/C23H25FN2O2/c1-16(25-23(27)11-9-18-4-2-3-5-20(18)24)19-8-10-22-21(14-19)26(12-13-28-22)15-17-6-7-17/h2-5,8-11,14,16-17H,6-7,12-13,15H2,1H3,(H,25,27)/b11-9+/t16-/m0/s1
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n/an/an/an/a 60n/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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%