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PubMed code 25155913

Compile data set for download or QSAR
Found 32 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


(Homo sapiens (human))
BDBM50023584
PNG
(CHEMBL3341839)
Show SMILES COc1ccc2ncc(=O)n(CC(N)C3(F)CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H29FN6O4/c1-35-17-3-4-18-19(10-17)32(23(34)12-29-18)13-21(27)25(26)8-6-15(7-9-25)28-11-16-2-5-20-24(30-16)31-22(33)14-36-20/h2-5,10,12,15,21,28H,6-9,11,13-14,27H2,1H3,(H,30,31,33)
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n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens)
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a 3.50E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel IKs (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a 9.20E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav1.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Kv1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Nav1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023585
PNG
(CHEMBL3355578)
Show SMILES COc1cnc2ccc(=O)n(C[C@@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m1/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023583
PNG
(CHEMBL3355576)
Show SMILES N[C@@H](Cn1c2cc(F)cnc2ccc1=O)[C@H]1CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C24H27FN6O3/c25-15-9-20-19(28-10-15)6-8-23(33)31(20)12-18(26)14-1-3-16(4-2-14)27-11-17-5-7-21-24(29-17)30-22(32)13-34-21/h5-10,14,16,18,27H,1-4,11-13,26H2,(H,29,30,32)/t14-,16-,18-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Kv1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens)
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Kv4.3 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens)
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Kv4.3 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023593
PNG
(CHEMBL3355568)
Show SMILES COc1ccc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-8-4-16-5-9-24(33)31(20(16)10-18)13-19(26)15-2-6-17(7-3-15)27-12-22-28-11-21-25(29-22)30-23(32)14-35-21/h4-5,8-11,15,17,19,27H,2-3,6-7,12-14,26H2,1H3,(H,28,29,30,32)/t15-,17-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4


(Homo sapiens)
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel HCN4 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav3.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4


(Homo sapiens)
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel HCN4 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023588
PNG
(CHEMBL3355572)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ccc2OCC(=O)Nc2n1
Show InChI InChI=1S/C24H27FN6O3/c25-15-3-7-19-20(9-15)31(23(33)11-28-19)12-18(26)14-1-4-16(5-2-14)27-10-17-6-8-21-24(29-17)30-22(32)13-34-21/h3,6-9,11,14,16,18,27H,1-2,4-5,10,12-13,26H2,(H,29,30,32)/t14-,16-,18-/m0/s1
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n/an/a 1.74E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav3.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023591
PNG
(CHEMBL3355570)
Show SMILES Cc1cc(=O)n(C[C@H](N)[C@H]2CC[C@@H](CC2)NCc2ccc3OCC(=O)Nc3n2)c2cc(F)ccc12
Show InChI InChI=1S/C26H30FN5O3/c1-15-10-25(34)32(22-11-17(27)4-8-20(15)22)13-21(28)16-2-5-18(6-3-16)29-12-19-7-9-23-26(30-19)31-24(33)14-35-23/h4,7-11,16,18,21,29H,2-3,5-6,12-14,28H2,1H3,(H,30,31,33)/t16-,18-,21-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023590
PNG
(CHEMBL3355574)
Show SMILES COc1cc2n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c(=O)cnc2cc1F
Show InChI InChI=1S/C24H28FN7O4/c1-35-19-7-18-17(6-15(19)25)28-10-23(34)32(18)11-16(26)13-2-4-14(5-3-13)27-9-21-29-8-20-24(30-21)31-22(33)12-36-20/h6-8,10,13-14,16,27H,2-5,9,11-12,26H2,1H3,(H,29,30,31,33)/t13-,14-,16-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023587
PNG
(CHEMBL3355571)
Show SMILES COc1ccc2ncc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-7-8-20-21(10-18)31(24(33)12-28-20)13-19(26)15-2-4-16(5-3-15)27-11-17-6-9-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav1.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type L)


(HUMAN)
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav1.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Kv1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Nav1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023592
PNG
(CHEMBL3355569)
Show SMILES Cc1cc(=O)n(C[C@H](N)[C@H]2CC[C@@H](CC2)NCc2ncc3OCC(=O)Nc3n2)c2cc(F)ccc12
Show InChI InChI=1S/C25H29FN6O3/c1-14-8-24(34)32(20-9-16(26)4-7-18(14)20)12-19(27)15-2-5-17(6-3-15)28-11-22-29-10-21-25(30-22)31-23(33)13-35-21/h4,7-10,15,17,19,28H,2-3,5-6,11-13,27H2,1H3,(H,29,30,31,33)/t15-,17-,19-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Nav1.5 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens)
BDBM50023582
PNG
(CHEMBL3355575)
Show SMILES COc1cnc2ccc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C25H30N6O4/c1-34-18-10-21-20(28-12-18)7-9-24(33)31(21)13-19(26)15-2-4-16(5-3-15)27-11-17-6-8-22-25(29-17)30-23(32)14-35-22/h6-10,12,15-16,19,27H,2-5,11,13-14,26H2,1H3,(H,29,30,32)/t15-,16-,19-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel IKs (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens)
BDBM50023589
PNG
(CHEMBL3355573)
Show SMILES N[C@@H](Cn1c2cc(F)ccc2ncc1=O)[C@H]1CC[C@@H](CC1)NCc1ncc2OCC(=O)Nc2n1
Show InChI InChI=1S/C23H26FN7O3/c24-14-3-6-17-18(7-14)31(22(33)10-27-17)11-16(25)13-1-4-15(5-2-13)26-9-20-28-8-19-23(29-20)30-21(32)12-34-19/h3,6-8,10,13,15-16,26H,1-2,4-5,9,11-12,25H2,(H,28,29,30,32)/t13-,15-,16-/m0/s1
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AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel IKs (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50023586
PNG
(CHEMBL3352849)
Show SMILES COc1ccc2ncc(=O)n(C[C@H](N)[C@H]3CC[C@@H](CC3)NCc3ncc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H29N7O4/c1-34-16-6-7-18-19(8-16)31(23(33)11-27-18)12-17(25)14-2-4-15(5-3-14)26-10-21-28-9-20-24(29-21)30-22(32)13-35-20/h6-9,11,14-15,17,26H,2-5,10,12-13,25H2,1H3,(H,28,29,30,32)/t14-,15-,17-/m0/s1
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by cell-based patch clamp method


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
Calcium channel (Type T,L)


()
BDBM50395399
PNG
(CHEMBL2165063)
Show SMILES COc1ccc2ncc(=O)n(CCN3CCC(CC3)NCc3ccc4OCC(=O)Nc4n3)c2c1
Show InChI InChI=1S/C24H28N6O4/c1-33-18-3-4-19-20(12-18)30(23(32)14-26-19)11-10-29-8-6-16(7-9-29)25-13-17-2-5-21-24(27-17)28-22(31)15-34-21/h2-5,12,14,16,25H,6-11,13,15H2,1H3,(H,27,28,31)
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n/an/a>3.33E+5n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of potassium channel Cav3.2 (unknown origin)


Bioorg Med Chem 22: 5392-409 (2014)


Article DOI: 10.1016/j.bmc.2014.07.040
BindingDB Entry DOI: 10.7270/Q2VQ3480
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%