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PubMed code 24881565

Compile data set for download or QSAR
Found 15 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
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022107
PNG
(CHEMBL3298226)
Show SMILES COc1cccc2ccnc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C20H22N2O/c1-20(2,16-9-5-4-6-10-16)14-22-19-18-15(12-13-21-19)8-7-11-17(18)23-3/h4-13H,14H2,1-3H3,(H,21,22)
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022108
PNG
(CHEMBL3298228)
Show SMILES COc1cccc2nc(O)nc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H21N3O2/c1-19(2,13-8-5-4-6-9-13)12-20-17-16-14(21-18(23)22-17)10-7-11-15(16)24-3/h4-11H,12H2,1-3H3,(H2,20,21,22,23)
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n/an/a 23n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022109
PNG
(CHEMBL3298224)
Show SMILES CCc1cccc2snc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H22N2S/c1-4-14-9-8-12-16-17(14)18(21-22-16)20-13-19(2,3)15-10-6-5-7-11-15/h5-12H,4,13H2,1-3H3,(H,20,21)
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n/an/a 25n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022110
PNG
(CHEMBL3298140)
Show SMILES COc1cccc2onc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C18H20N2O2/c1-18(2,13-8-5-4-6-9-13)12-19-17-16-14(21-3)10-7-11-15(16)22-20-17/h4-11H,12H2,1-3H3,(H,19,20)
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n/an/a 43n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022111
PNG
(CHEMBL3298227)
Show SMILES COc1cccc2nc(Cl)nc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H20ClN3O/c1-19(2,13-8-5-4-6-9-13)12-21-17-16-14(22-18(20)23-17)10-7-11-15(16)24-3/h4-11H,12H2,1-3H3,(H,21,22,23)
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n/an/a 73n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022112
PNG
(CHEMBL3298230)
Show SMILES CCc1cccc2C(=O)N=C(NCC(C)(C)c3ccccc3)c12 |t:9|
Show InChI InChI=1S/C20H22N2O/c1-4-14-9-8-12-16-17(14)18(22-19(16)23)21-13-20(2,3)15-10-6-5-7-11-15/h5-12H,4,13H2,1-3H3,(H,21,22,23)
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n/an/a 84n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022113
PNG
(CHEMBL3298231)
Show SMILES CCNC(=O)O[C@H]1CC[C@@](CNc2nn(C)c3cccc(OC)c23)(CC1)c1ccccc1 |r,wU:9.9,6.5,(16.91,-27.75,;15.56,-28.49,;14.24,-27.7,;12.89,-28.44,;12.86,-29.98,;11.58,-27.64,;11.61,-26.1,;10.29,-25.3,;10.33,-23.76,;11.68,-23.02,;13.02,-22.27,;14.34,-23.07,;15.69,-22.32,;15.68,-20.79,;17.13,-20.3,;17.6,-18.82,;18.04,-21.53,;19.58,-21.69,;20.22,-23.1,;19.31,-24.35,;17.78,-24.19,;16.88,-25.44,;17.51,-26.85,;17.15,-22.78,;13,-23.81,;12.96,-25.35,;10.36,-22.23,;10.4,-20.69,;9.08,-19.9,;7.73,-20.64,;7.71,-22.19,;9.02,-22.98,)|
Show InChI InChI=1S/C25H32N4O3/c1-4-26-24(30)32-19-13-15-25(16-14-19,18-9-6-5-7-10-18)17-27-23-22-20(29(2)28-23)11-8-12-21(22)31-3/h5-12,19H,4,13-17H2,1-3H3,(H,26,30)(H,27,28)/t19-,25-
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n/an/a 88n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022114
PNG
(CHEMBL3298225)
Show SMILES COc1cccc2ncnc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H21N3O/c1-19(2,14-8-5-4-6-9-14)12-20-18-17-15(21-13-22-18)10-7-11-16(17)23-3/h4-11,13H,12H2,1-3H3,(H,20,21,22)
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n/an/a 118n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022115
PNG
(CHEMBL3298232)
Show SMILES CCNC(=O)O[C@H]1CC[C@@](CNc2n[nH]c3cccc(OC)c23)(CC1)c1ccccc1 |r,wU:9.9,6.5,(16.91,-27.75,;15.56,-28.49,;14.24,-27.7,;12.89,-28.44,;12.86,-29.98,;11.58,-27.64,;11.61,-26.1,;10.29,-25.3,;10.33,-23.76,;11.68,-23.02,;13.02,-22.27,;14.34,-23.07,;15.69,-22.32,;15.68,-20.79,;17.13,-20.3,;18.04,-21.53,;19.58,-21.69,;20.22,-23.1,;19.31,-24.35,;17.78,-24.19,;16.88,-25.44,;17.51,-26.85,;17.15,-22.78,;13,-23.81,;12.96,-25.35,;10.36,-22.23,;10.4,-20.69,;9.08,-19.9,;7.73,-20.64,;7.71,-22.19,;9.02,-22.98,)|
Show InChI InChI=1S/C24H30N4O3/c1-3-25-23(29)31-18-12-14-24(15-13-18,17-8-5-4-6-9-17)16-26-22-21-19(27-28-22)10-7-11-20(21)30-2/h4-11,18H,3,12-16H2,1-2H3,(H,25,29)(H2,26,27,28)/t18-,24-
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n/an/a 138n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022116
PNG
(CHEMBL3298147)
Show SMILES COc1cccc2onc(N(C)CC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H22N2O2/c1-19(2,14-9-6-5-7-10-14)13-21(3)18-17-15(22-4)11-8-12-16(17)23-20-18/h5-12H,13H2,1-4H3
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n/an/a 187n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022139
PNG
(CHEMBL3298229)
Show SMILES COc1cccc2oc(=O)nc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H20N2O3/c1-19(2,13-8-5-4-6-9-13)12-20-17-16-14(23-3)10-7-11-15(16)24-18(22)21-17/h4-11H,12H2,1-3H3,(H,20,21,22)
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n/an/a 197n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022140
PNG
(CHEMBL3298221)
Show SMILES CCc1cccc2n(C)nc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C20H25N3/c1-5-15-10-9-13-17-18(15)19(22-23(17)4)21-14-20(2,3)16-11-7-6-8-12-16/h6-13H,5,14H2,1-4H3,(H,21,22)
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n/an/a 198n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022141
PNG
(CHEMBL3298145)
Show SMILES CCc1cccc2onc(NCC(C)(C)c3ccccc3)c12
Show InChI InChI=1S/C19H22N2O/c1-4-14-9-8-12-16-17(14)18(21-22-16)20-13-19(2,3)15-10-6-5-7-11-15/h5-12H,4,13H2,1-3H3,(H,20,21)
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n/an/a 219n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022143
PNG
(CHEMBL3298146)
Show SMILES CC(C)(CNc1noc2cccc(O)c12)c1ccccc1
Show InChI InChI=1S/C17H18N2O2/c1-17(2,12-7-4-3-5-8-12)11-18-16-15-13(20)9-6-10-14(15)21-19-16/h3-10,20H,11H2,1-2H3,(H,18,19)
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n/an/a 262n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50022144
PNG
(CHEMBL3298141)
Show SMILES CC(C)(CNc1noc2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H18N2O/c1-17(2,13-8-4-3-5-9-13)12-18-16-14-10-6-7-11-15(14)20-19-16/h3-11H,12H2,1-2H3,(H,18,19)
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n/an/a 784n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human Kv1.5 expressed in mouse L929 cells assessed as inhibition of current


Bioorg Med Chem Lett 24: 3018-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.035
BindingDB Entry DOI: 10.7270/Q2HH6MNP
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%