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Compile Data Set for Download or QSAR

Found 9 hits of ec50 data for polymerid = 50000738   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50145050
PNG
(1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-phen...)
Show SMILES COc1c(O)c(C(=O)\C=C\c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H16O5/c1-22-17-13-10-11-24-18(13)19(23-2)16(21)15(17)14(20)9-8-12-6-4-3-5-7-12/h3-11,21H,1-2H3/b9-8+
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n/an/an/an/a 400n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human L929 by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50145054
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1cccc(\C=C\C(=O)c2c(O)c(OC)c3occc3c2OC)c1
Show InChI InChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
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n/an/an/an/a 800n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human L929 by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50145054
PNG
((E)-1-(6-Hydroxy-4,7-dimethoxy-benzofuran-5-yl)-3-...)
Show SMILES COc1cccc(\C=C\C(=O)c2c(O)c(OC)c3occc3c2OC)c1
Show InChI InChI=1S/C20H18O6/c1-23-13-6-4-5-12(11-13)7-8-15(21)16-17(22)20(25-3)19-14(9-10-26-19)18(16)24-2/h4-11,22H,1-3H3/b8-7+
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n/an/an/an/a 900n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50030522
PNG
(CHEMBL554816 | CHEMBL55791 | [1-Benzyl-7-chloro-1H...)
Show SMILES CCC\N=c1/ccn(Cc2ccccc2)c2cc(Cl)ccc12
Show InChI InChI=1S/C19H19ClN2/c1-2-11-21-18-10-12-22(14-15-6-4-3-5-7-15)19-13-16(20)8-9-17(18)19/h3-10,12-13H,2,11,14H2,1H3/b21-18+
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n/an/an/an/a 1.00E+3n/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro immunosuppression in stimulated T cells expressing Voltage-gated potassium channel subunit Kv1.3


J Med Chem 44: 1627-53 (2001)


BindingDB Entry DOI: 10.7270/Q218376D
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50371942
PNG
(CHEMBL272101)
Show SMILES COc1c(O)c(cc2ccoc12)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C18H14O4/c1-21-18-16(20)14(11-13-9-10-22-17(13)18)15(19)8-7-12-5-3-2-4-6-12/h2-11,20H,1H3/b8-7+
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n/an/an/an/a 1.70E+3n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50371943
PNG
(CHEMBL272314)
Show SMILES COc1cccc(\C=C\C(=O)c2cc(OC)c3occc3c2OC)c1
Show InChI InChI=1S/C20H18O5/c1-22-14-6-4-5-13(11-14)7-8-17(21)16-12-18(23-2)20-15(9-10-25-20)19(16)24-3/h4-12H,1-3H3/b8-7+
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n/an/an/an/a 2.40E+3n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50371944
PNG
(CHEMBL403523)
Show SMILES COc1cc(C(=O)\C=C\c2ccccc2)c(OC)c2ccoc12
Show InChI InChI=1S/C19H16O4/c1-21-17-12-15(18(22-2)14-10-11-23-19(14)17)16(20)9-8-13-6-4-3-5-7-13/h3-12H,1-2H3/b9-8+
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n/an/an/an/a 2.40E+3n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50371945
PNG
(CHEMBL257244)
Show SMILES COc1cccc(\C=C(/C)C(=O)c2c(O)c(OC)c3occc3c2OC)c1
Show InChI InChI=1S/C21H20O6/c1-12(10-13-6-5-7-14(11-13)24-2)17(22)16-18(23)21(26-4)20-15(8-9-27-20)19(16)25-3/h5-11,23H,1-4H3/b12-10+
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n/an/an/an/a 3.00E+3n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human Jurkat cells by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50145058
PNG
((E)-1-(6-Hydroxy-4-methoxy-benzofuran-5-yl)-3-phen...)
Show SMILES COc1c(C(=O)\C=C\c2ccccc2)c(O)cc2occc12
Show InChI InChI=1S/C18H14O4/c1-21-18-13-9-10-22-16(13)11-15(20)17(18)14(19)8-7-12-5-3-2-4-6-12/h2-11,20H,1H3/b8-7+
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n/an/an/an/a 1.70E+4n/an/an/an/a



The Walter and Eliza Hall Institute of Medical Research

Curated by ChEMBL


Assay Description
Inhibition in Kv1.3 expressed in human L929 by patch clamp method


Bioorg Med Chem Lett 18: 2055-61 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.099
BindingDB Entry DOI: 10.7270/Q2ZG6T27
More data for this
Ligand-Target Pair