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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50040520   
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
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395463
PNG
(CHEMBL2163682)
Show SMILES CCC(C(=O)Nc1ccccc1-n1c(C)ccc1C)c1ccccc1 |(14.86,-21.63,;13.53,-22.39,;12.2,-21.61,;10.86,-22.36,;10.84,-23.89,;9.53,-21.58,;8.19,-22.33,;8.17,-23.87,;6.83,-24.62,;5.5,-23.84,;5.52,-22.3,;6.87,-21.54,;6.88,-20,;5.65,-19.09,;4.19,-19.54,;6.14,-17.63,;7.68,-17.65,;8.14,-19.12,;9.6,-19.61,;12.22,-20.07,;10.89,-19.28,;10.91,-17.74,;12.25,-16.99,;13.57,-17.77,;13.56,-19.31,)|
Show InChI InChI=1S/C22H24N2O/c1-4-19(18-10-6-5-7-11-18)22(25)23-20-12-8-9-13-21(20)24-16(2)14-15-17(24)3/h5-15,19H,4H2,1-3H3,(H,23,25)
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n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395496
PNG
(CHEMBL1448089)
Show SMILES O=C(Cc1ccccc1)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C18H20N2O/c21-18(14-15-8-2-1-3-9-15)19-16-10-4-5-11-17(16)20-12-6-7-13-20/h1-5,8-11H,6-7,12-14H2,(H,19,21)
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n/an/an/an/a 743n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395466
PNG
(CHEMBL2163685)
Show SMILES CN(Cc1ccccc1)c1ccccc1NC(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C22H21ClN2O/c1-25(16-17-8-3-2-4-9-17)21-13-6-5-12-20(21)24-22(26)15-18-10-7-11-19(23)14-18/h2-14H,15-16H2,1H3,(H,24,26)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395467
PNG
(CHEMBL2163678)
Show SMILES CN(C)c1ccccc1NC(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C16H17ClN2O/c1-19(2)15-9-4-3-8-14(15)18-16(20)11-12-6-5-7-13(17)10-12/h3-10H,11H2,1-2H3,(H,18,20)
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n/an/an/an/a 2.74E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395468
PNG
(CHEMBL2163676)
Show SMILES CCN(C)c1ccccc1NC(=O)Cc1cccc(Cl)c1
Show InChI InChI=1S/C17H19ClN2O/c1-3-20(2)16-10-5-4-9-15(16)19-17(21)12-13-7-6-8-14(18)11-13/h4-11H,3,12H2,1-2H3,(H,19,21)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395469
PNG
(CHEMBL2163674)
Show SMILES Clc1cccc(CC(=O)Nc2ccccc2N2CCOCC2)c1
Show InChI InChI=1S/C18H19ClN2O2/c19-15-5-3-4-14(12-15)13-18(22)20-16-6-1-2-7-17(16)21-8-10-23-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395470
PNG
(CHEMBL2163672)
Show SMILES Clc1cccc(CC(=O)Nc2ccccc2N2CCCCCC2)c1
Show InChI InChI=1S/C20H23ClN2O/c21-17-9-7-8-16(14-17)15-20(24)22-18-10-3-4-11-19(18)23-12-5-1-2-6-13-23/h3-4,7-11,14H,1-2,5-6,12-13,15H2,(H,22,24)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395471
PNG
(CHEMBL2163670)
Show SMILES Clc1cccc(CC(=O)Nc2ccccc2N2CCCCC2)c1
Show InChI InChI=1S/C19H21ClN2O/c20-16-8-6-7-15(13-16)14-19(23)21-17-9-2-3-10-18(17)22-11-4-1-5-12-22/h2-3,6-10,13H,1,4-5,11-12,14H2,(H,21,23)
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n/an/an/an/a 7.09E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395472
PNG
(CHEMBL2163668)
Show SMILES Clc1cccc(CC(=O)Nc2ccc(cc2)N2CCCC2)c1
Show InChI InChI=1S/C18H19ClN2O/c19-15-5-3-4-14(12-15)13-18(22)20-16-6-8-17(9-7-16)21-10-1-2-11-21/h3-9,12H,1-2,10-11,13H2,(H,20,22)
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n/an/an/an/a 8.66E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395473
PNG
(CHEMBL2163666)
Show SMILES Clc1cccc(CC(=O)Nc2cccc(c2)N2CCCC2)c1
Show InChI InChI=1S/C18H19ClN2O/c19-15-6-3-5-14(11-15)12-18(22)20-16-7-4-8-17(13-16)21-9-1-2-10-21/h3-8,11,13H,1-2,9-10,12H2,(H,20,22)
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n/an/an/an/a 1.02E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395483
PNG
(CHEMBL2163681)
Show SMILES Clc1cccc(CC(=O)Nc2ccccc2-n2cccc2)c1
Show InChI InChI=1S/C18H15ClN2O/c19-15-7-5-6-14(12-15)13-18(22)20-16-8-1-2-9-17(16)21-10-3-4-11-21/h1-12H,13H2,(H,20,22)
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n/an/an/an/a 1.23E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395484
PNG
(CHEMBL2163663)
Show SMILES Clc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1
Show InChI InChI=1S/C18H19ClN2O/c19-15-9-7-14(8-10-15)13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395485
PNG
(CHEMBL1729184)
Show SMILES COc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1
Show InChI InChI=1S/C19H22N2O2/c1-23-16-10-8-15(9-11-16)14-19(22)20-17-6-2-3-7-18(17)21-12-4-5-13-21/h2-3,6-11H,4-5,12-14H2,1H3,(H,20,22)
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n/an/an/an/a 1.75E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395486
PNG
(CHEMBL2163660)
Show SMILES Clc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
Show InChI InChI=1S/C18H19ClN2O/c19-15-7-5-6-14(12-15)13-18(22)20-16-8-1-2-9-17(16)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,22)
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n/an/an/an/a 170n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395487
PNG
(CHEMBL1320944)
Show SMILES COc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
Show InChI InChI=1S/C19H22N2O2/c1-23-16-8-6-7-15(13-16)14-19(22)20-17-9-2-3-10-18(17)21-11-4-5-12-21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,20,22)
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n/an/an/an/a 2.35E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395488
PNG
(CHEMBL1572950)
Show SMILES FC(F)(F)c1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
Show InChI InChI=1S/C19H19F3N2O/c20-19(21,22)15-7-5-6-14(12-15)13-18(25)23-16-8-1-2-9-17(16)24-10-3-4-11-24/h1-2,5-9,12H,3-4,10-11,13H2,(H,23,25)
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n/an/an/an/a 350n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395489
PNG
(CHEMBL2163656)
Show SMILES Clc1ccccc1CC(=O)Nc1ccccc1N1CCCC1
Show InChI InChI=1S/C18H19ClN2O/c19-15-8-2-1-7-14(15)13-18(22)20-16-9-3-4-10-17(16)21-11-5-6-12-21/h1-4,7-10H,5-6,11-13H2,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395490
PNG
(CHEMBL1732755)
Show SMILES Clc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1Cl
Show InChI InChI=1S/C18H18Cl2N2O/c19-14-8-7-13(11-15(14)20)12-18(23)21-16-5-1-2-6-17(16)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23)
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n/an/an/an/a 1.07E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395491
PNG
(CHEMBL1415708)
Show SMILES Fc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1
Show InChI InChI=1S/C18H19FN2O/c19-15-9-7-14(8-10-15)13-18(22)20-16-5-1-2-6-17(16)21-11-3-4-12-21/h1-2,5-10H,3-4,11-13H2,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395492
PNG
(CHEMBL2164067)
Show SMILES Cc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
Show InChI InChI=1S/C19H22N2O/c1-15-7-6-8-16(13-15)14-19(22)20-17-9-2-3-10-18(17)21-11-4-5-12-21/h2-3,6-10,13H,4-5,11-12,14H2,1H3,(H,20,22)
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n/an/an/an/a 1.32E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395493
PNG
(CHEMBL2164065)
Show SMILES Fc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1
Show InChI InChI=1S/C18H19FN2O/c19-15-7-5-6-14(12-15)13-18(22)20-16-8-1-2-9-17(16)21-10-3-4-11-21/h1-2,5-9,12H,3-4,10-11,13H2,(H,20,22)
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395494
PNG
(CHEMBL2164063)
Show SMILES Fc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1F
Show InChI InChI=1S/C18H18F2N2O/c19-14-8-7-13(11-15(14)20)12-18(23)21-16-5-1-2-6-17(16)22-9-3-4-10-22/h1-2,5-8,11H,3-4,9-10,12H2,(H,21,23)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.73E+3n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395495
PNG
(CHEMBL2164050)
Show SMILES FC(C(=O)Nc1ccccc1N1CCCC1)c1ccccc1
Show InChI InChI=1S/C18H19FN2O/c19-17(14-8-2-1-3-9-14)18(22)20-15-10-4-5-11-16(15)21-12-6-7-13-21/h1-5,8-11,17H,6-7,12-13H2,(H,20,22)
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 990n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair
KCNQ (Kv7) potassium channel


(Homo sapiens (Human))
BDBM50395465
PNG
(CHEMBL2163687)
Show SMILES CN(C(=O)Cc1ccccc1)c1ccccc1N1CCCC1
Show InChI InChI=1S/C19H22N2O/c1-20(19(22)15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-6,9-12H,7-8,13-15H2,1H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Agonist activity at KCNQ2 expressed in CHO cells incubated for 3 mins by automated patch clamp assay


J Med Chem 55: 6975-9 (2012)


Article DOI: 10.1021/jm300700v
BindingDB Entry DOI: 10.7270/Q2KD2017
More data for this
Ligand-Target Pair