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PubMed code 18540666

Compile data set for download or QSAR
Found 8 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))
BDBM50243844
PNG
(1-(3-Chloro-phenyl)-3-[1-(3,3-dimethyl-butyl)-4-ph...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)Nc2cccc(Cl)c2)(CC1)c1ccccc1
Show InChI InChI=1S/C25H34ClN3O/c1-24(2,3)12-15-29-16-13-25(14-17-29,20-8-5-4-6-9-20)19-27-23(30)28-22-11-7-10-21(26)18-22/h4-11,18H,12-17,19H2,1-3H3,(H2,27,28,30)
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PubMed
n/an/a 88n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243845
PNG
(3,5-Dichloro-N-[1-(4-methyl-benzyl)-piperidin-4-yl...)
Show SMILES Cc1ccc(CN2CCC(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1
Show InChI InChI=1S/C21H24Cl2N2O/c1-15-2-4-17(5-3-15)14-25-8-6-16(7-9-25)13-24-21(26)18-10-19(22)12-20(23)11-18/h2-5,10-12,16H,6-9,13-14H2,1H3,(H,24,26)
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n/an/a 135n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243846
PNG
(3,5-Dichloro-N-[1-(3,3-dimethyl-butyl)-piperidin-4...)
Show SMILES CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H28Cl2N2O/c1-19(2,3)6-9-23-7-4-14(5-8-23)13-22-18(24)15-10-16(20)12-17(21)11-15/h10-12,14H,4-9,13H2,1-3H3,(H,22,24)
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PubMed
n/an/a 1.93E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243802
PNG
(3,5-Dichloro-N-[1-(3,3-dimethyl-butyl)-4-fluoro-pi...)
Show SMILES CC(C)(C)CCN1CCC(F)(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1
Show InChI InChI=1S/C19H27Cl2FN2O/c1-18(2,3)4-7-24-8-5-19(22,6-9-24)13-23-17(25)14-10-15(20)12-16(21)11-14/h10-12H,4-9,13H2,1-3H3,(H,23,25)
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n/an/a 2.22E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243805
PNG
((S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...)
Show SMILES CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243804
PNG
((R)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...)
Show SMILES CC1(C)C[C@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m1/s1
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n/an/a 5.01E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50243803
PNG
(CHEMBL529445 | rac-3,5-Dichloro-N-[1-(2,2-dimethyl...)
Show SMILES CC1(C)CC(CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)
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n/an/a 8.41E+3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human ERG by voltage-clamp electrophysiology assay


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50243805
PNG
((S)-3,5-Dichloro-N-[1-(2,2-dimethyl-tetrahydro-pyr...)
Show SMILES CC1(C)C[C@@H](CN2CCC(F)(CNC(=O)c3cc(Cl)cc(Cl)c3)CC2)CCO1
Show InChI InChI=1S/C21H29Cl2FN2O2/c1-20(2)12-15(3-8-28-20)13-26-6-4-21(24,5-7-26)14-25-19(27)16-9-17(22)11-18(23)10-16/h9-11,15H,3-8,12-14H2,1-2H3,(H,25,27)/t15-/m0/s1
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n/an/a 8.40E+4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of sodium channel Nav1.5 (unknown origin) by voltage-clamp method


J Med Chem 51: 3692-5 (2008)


Article DOI: 10.1021/jm800419w
BindingDB Entry DOI: 10.7270/Q25Q4VXC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%