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Compile Data Set for Download or QSAR

Found 9 hits of ic50 for monomerid = 50395464   
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 2


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist 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
Potassium voltage-gated channel subfamily KQT member 2/3


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ2/Q3 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
Potassium voltage-gated channel subfamily KQT member 4


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ4 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
Potassium voltage-gated channel subfamily KQT member 1


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 2.92E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1 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
Cytochrome P450 3A4


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4

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
Cytochrome P450 1A2


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2

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
Potassium voltage-gated channel subfamily E/KQT member 1


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 8.12E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at KCNQ1/E1 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
Cytochrome P450 2C9


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 1.89E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9

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
Cytochrome P450 2D6


(Homo sapiens (Human))		BDBM50395464
PNG
(CHEMBL2164048)
Show SMILES CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1 |r|
Show InChI InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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n/an/a 1.99E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6

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