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Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'miceli' and Initial = 'f'   
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 5


(Homo sapiens (Human))
BDBM50526876
PNG
(CHEMBL4457044)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C22H23F3N2O/c1-21(2,3)13-20(28)26-18-8-9-19-16(12-18)10-11-27(19)14-15-4-6-17(7-5-15)22(23,24)25/h4-12H,13-14H2,1-3H3,(H,26,28)
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n/an/an/an/a 350n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.5 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 270n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50526877
PNG
(CHEMBL4545892)
Show SMILES CCCCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C23H25F3N2O/c1-2-3-4-5-6-22(29)27-20-11-12-21-18(15-20)13-14-28(21)16-17-7-9-19(10-8-17)23(24,25)26/h7-15H,2-6,16H2,1H3,(H,27,29)
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n/an/an/an/a 210n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology ...


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50526876
PNG
(CHEMBL4457044)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C22H23F3N2O/c1-21(2,3)13-20(28)26-18-8-9-19-16(12-18)10-11-27(19)14-15-4-6-17(7-5-15)22(23,24)25/h4-12H,13-14H2,1-3H3,(H,26,28)
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n/an/an/an/a 340n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology ...


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50526877
PNG
(CHEMBL4545892)
Show SMILES CCCCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C23H25F3N2O/c1-2-3-4-5-6-22(29)27-20-11-12-21-18(15-20)13-14-28(21)16-17-7-9-19(10-8-17)23(24,25)26/h7-15H,2-6,16H2,1H3,(H,27,29)
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n/an/an/an/a 80n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
BDBM50526876
PNG
(CHEMBL4457044)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C22H23F3N2O/c1-21(2,3)13-20(28)26-18-8-9-19-16(12-18)10-11-27(19)14-15-4-6-17(7-5-15)22(23,24)25/h4-12H,13-14H2,1-3H3,(H,26,28)
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n/an/an/an/a 630n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 3


(Homo sapiens (Human))
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 3.90E+3n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50526877
PNG
(CHEMBL4545892)
Show SMILES CCCCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C23H25F3N2O/c1-2-3-4-5-6-22(29)27-20-11-12-21-18(15-20)13-14-28(21)16-17-7-9-19(10-8-17)23(24,25)26/h7-15H,2-6,16H2,1H3,(H,27,29)
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University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.4 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
BDBM50526876
PNG
(CHEMBL4457044)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C22H23F3N2O/c1-21(2,3)13-20(28)26-18-8-9-19-16(12-18)10-11-27(19)14-15-4-6-17(7-5-15)22(23,24)25/h4-12H,13-14H2,1-3H3,(H,26,28)
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n/an/an/an/a 80n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.4 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
BDBM50526877
PNG
(CHEMBL4545892)
Show SMILES CCCCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C23H25F3N2O/c1-2-3-4-5-6-22(29)27-20-11-12-21-18(15-20)13-14-28(21)16-17-7-9-19(10-8-17)23(24,25)26/h7-15H,2-6,16H2,1H3,(H,27,29)
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n/an/an/an/a 1.07E+3n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.5 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 5


(Homo sapiens (Human))
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 800n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.5 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
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 1.72E+3n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2/Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology ...


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 3


(Homo sapiens (Human))
BDBM50526876
PNG
(CHEMBL4457044)
Show SMILES CC(C)(C)CC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C22H23F3N2O/c1-21(2,3)13-20(28)26-18-8-9-19-16(12-18)10-11-27(19)14-15-4-6-17(7-5-15)22(23,24)25/h4-12H,13-14H2,1-3H3,(H,26,28)
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n/an/an/an/a 920n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))
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 1.98E+3n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.4 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 3


(Homo sapiens (Human))
BDBM50526877
PNG
(CHEMBL4545892)
Show SMILES CCCCCCC(=O)Nc1ccc2n(Cc3ccc(cc3)C(F)(F)F)ccc2c1
Show InChI InChI=1S/C23H25F3N2O/c1-2-3-4-5-6-22(29)27-20-11-12-21-18(15-20)13-14-28(21)16-17-7-9-19(10-8-17)23(24,25)26/h7-15H,2-6,16H2,1H3,(H,27,29)
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n/an/an/an/a 1.05E+4n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.3 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
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 1.12E+4n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 3.20E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 4.00E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
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 2.50E+3n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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n/an/an/an/a 150n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50535681
PNG
(CHEMBL4438095)
Show SMILES CCOC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
Show InChI InChI=1S/C17H17F4N3O2/c1-2-26-16(25)24-13-8-7-12(14(18)15(13)22)23-9-10-3-5-11(6-4-10)17(19,20)21/h3-8,23H,2,9,22H2,1H3,(H,24,25)
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n/an/an/an/a 240n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))
BDBM50595542
PNG
(CHEMBL5204124)
Show SMILES CC(C)(C)CC(=O)Nc1ccc(NCc2ccc(cc2)C(F)(F)F)c(F)c1N
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 60n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00911
BindingDB Entry DOI: 10.7270/Q2X92GB4
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily KQT member 2


(Homo sapiens (Human))
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)
PDB

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KEGG

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antibodypedia
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CHEMBL
DrugBank
KEGG
PC cid
PC sid
PDB
UniChem

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DrugBank
PDB
Article
PubMed
n/an/an/an/a 930n/an/an/an/a



University Federico II of Naples

Curated by ChEMBL


Assay Description
Activation of human Kv7.2 expressed in CHO cells assessed as increase in channel current amplitude by whole cell patch clamp electrophysiology assay


J Med Chem 63: 163-185 (2020)


Article DOI: 10.1021/acs.jmedchem.9b00796
BindingDB Entry DOI: 10.7270/Q2KW5KG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)