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PubMed code 18243713

Compile data set for download or QSAR
Found 6 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
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50151869
PNG
(4-(3-(ethyl(3-(propylsulfinyl)propyl)amino)-2-hydr...)
Show SMILES CCCS(=O)CCCN(CC)CC(O)COc1ccc(cc1)C#N
Show InChI InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3
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Article
PubMed
n/an/a 5n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50251141
PNG
(5-chloro-1-(4-fluorophenyl)-N,N-dimethyl-1H-indol-...)
Show SMILES CN(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
Show InChI InChI=1S/C16H14ClFN2/c1-19(2)16-10-20(13-6-4-12(18)5-7-13)15-8-3-11(17)9-14(15)16/h3-10H,1-2H3
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Article
PubMed
n/an/a 11n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM35254
PNG
(2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...)
Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8|
Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3
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Article
PubMed
n/an/a 181n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM87351
PNG
(Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...)
Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
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Article
PubMed
n/an/a 210n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50241365
PNG
((R)-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)...)
Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1ccccc1n2C |r|
Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1
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Article
PubMed
n/an/a 810n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50012957
PNG
(1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...)
Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1
Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)
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Article
PubMed
n/an/a 7.40E+4n/an/an/an/an/an/a



University of Vienna

Curated by ChEMBL


Assay Description
Inhibition of human ERG potassium channel


Bioorg Med Chem 16: 4107-19 (2008)


Article DOI: 10.1016/j.bmc.2008.01.017
BindingDB Entry DOI: 10.7270/Q23T9J4N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%