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PubMed code 23084278

Compile data set for download or QSAR
Found 21 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 A member 3


(Homo sapiens (Human))
BDBM50279106
PNG
(4-(4-phenoxybutoxy)-7H-furo[3,2-g]chromen-7-one | ...)
Show SMILES O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1
Show InChI InChI=1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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PubMed
n/an/a 2n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50098785
PNG
(4-Benzhydryloxymethyl-1-[3-(4-methoxy-phenyl)-prop...)
Show SMILES COc1ccc(CCCN2CCC(COC(c3ccccc3)c3ccccc3)CC2)cc1
Show InChI InChI=1S/C29H35NO2/c1-31-28-16-14-24(15-17-28)9-8-20-30-21-18-25(19-22-30)23-32-29(26-10-4-2-5-11-26)27-12-6-3-7-13-27/h2-7,10-17,25,29H,8-9,18-23H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401661
PNG
(CHEMBL2205330)
Show SMILES OC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C21H24N2O/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-23-14-11-20(24)12-15-23/h1-10,20,24H,11-16H2
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n/an/a 750n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401666
PNG
(CHEMBL2205325)
Show SMILES CCOC(=O)C1(CCN(CCCc2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C23H29NO2/c1-2-26-22(25)23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3
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n/an/a 800n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401668
PNG
(CHEMBL2205323)
Show SMILES CCOC(=O)C1(CCN(CCC(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H33NO2/c1-2-32-28(31)29(26-16-10-5-11-17-26)19-22-30(23-20-29)21-18-27(24-12-6-3-7-13-24)25-14-8-4-9-15-25/h3-17,27H,2,18-23H2,1H3
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n/an/a 900n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401664
PNG
(CHEMBL2205327)
Show SMILES N#CC(CCN1CCN(Cc2ccccc2)CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H29N3/c28-23-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)16-17-29-18-20-30(21-19-29)22-24-10-4-1-5-11-24/h1-15H,16-22H2
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n/an/a 1.27E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401662
PNG
(CHEMBL2205329)
Show SMILES OC1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C27H28N2O/c28-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-19-29-20-17-27(30,18-21-29)25-14-8-3-9-15-25/h1-15,30H,16-21H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401665
PNG
(CHEMBL2205326)
Show SMILES N#CC(CCN1CCN(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H27N3/c27-22-26(23-10-4-1-5-11-23,24-12-6-2-7-13-24)16-17-28-18-20-29(21-19-28)25-14-8-3-9-15-25/h1-15H,16-21H2
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n/an/a 1.86E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401671
PNG
(CHEMBL2205320)
Show SMILES COC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C29H30N2O2/c1-33-27(32)28(24-11-5-2-6-12-24)17-20-31(21-18-28)22-19-29(23-30,25-13-7-3-8-14-25)26-15-9-4-10-16-26/h2-16H,17-22H2,1H3
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n/an/a 2.52E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401670
PNG
(CHEMBL2205321)
Show SMILES N#CC(CCN1CCC(CC1)c1ccccc1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C27H28N2/c28-22-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)18-21-29-19-16-24(17-20-29)23-10-4-1-5-11-23/h1-15,24H,16-21H2
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n/an/a 2.61E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401663
PNG
(CHEMBL2205328)
Show SMILES N#CC(CCN1CCC(=CC1)c1ccccc1)(c1ccccc1)c1ccccc1 |c:8|
Show InChI InChI=1S/C27H26N2/c28-22-27(25-12-6-2-7-13-25,26-14-8-3-9-15-26)18-21-29-19-16-24(17-20-29)23-10-4-1-5-11-23/h1-16H,17-21H2
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n/an/a 4.20E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401672
PNG
(DIPHENOXYLATE)
Show SMILES CCOC(=O)C1(CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1)c1ccccc1
Show InChI InChI=1S/C30H32N2O2/c1-2-34-28(33)29(25-12-6-3-7-13-25)18-21-32(22-19-29)23-20-30(24-31,26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3-17H,2,18-23H2,1H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401657
PNG
(CHEMBL2205334)
Show SMILES CC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H26N2/c1-19-12-15-24(16-13-19)17-14-22(18-23,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,19H,12-17H2,1H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401667
PNG
(CHEMBL2205324)
Show SMILES N#CC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H24N2/c22-18-21(19-10-4-1-5-11-19,20-12-6-2-7-13-20)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13H,3,8-9,14-17H2
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n/an/a 2.05E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401654
PNG
(CHEMBL2205337)
Show SMILES CC(C)(C)OC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)28-23-14-17-29(18-15-23)19-16-26(20-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,28,30)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401659
PNG
(CHEMBL2205332)
Show SMILES OC1CCN(CCC(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C20H25NO/c22-19-11-14-21(15-12-19)16-13-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,22H,11-16H2
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n/an/a 7.50E+4n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401660
PNG
(CHEMBL2205331)
Show SMILES OC1CCCN(CCC(C#N)(c2ccccc2)c2ccccc2)C1
Show InChI InChI=1S/C21H24N2O/c22-17-21(18-8-3-1-4-9-18,19-10-5-2-6-11-19)13-15-23-14-7-12-20(24)16-23/h1-6,8-11,20,24H,7,12-16H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401656
PNG
(CHEMBL2205335)
Show SMILES COC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C22H26N2O/c1-25-21-12-15-24(16-13-21)17-14-22(18-23,19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-11,21H,12-17H2,1H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401655
PNG
(CHEMBL2205336)
Show SMILES NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C21H25N3/c22-17-21(18-7-3-1-4-8-18,19-9-5-2-6-10-19)13-16-24-14-11-20(23)12-15-24/h1-10,20H,11-16,23H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401658
PNG
(CHEMBL2205333)
Show SMILES OC1CCN(CCCc2ccccc2)CC1
Show InChI InChI=1S/C14H21NO/c16-14-8-11-15(12-9-14)10-4-7-13-5-2-1-3-6-13/h1-3,5-6,14,16H,4,7-12H2
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50401669
PNG
(CHEMBL2205322)
Show SMILES CCOC(=O)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
Show InChI InChI=1S/C24H28N2O2/c1-2-28-23(27)20-13-16-26(17-14-20)18-15-24(19-25,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-12,20H,2,13-18H2,1H3
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Article
PubMed
n/an/a 2.30E+5n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of Kv1.3 expressed in mouse L929 cells exposed to depolarizing step pulses from -80 mV to +40 mV by whole cell patch clamp method


Bioorg Med Chem Lett 22: 7106-9 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.080
BindingDB Entry DOI: 10.7270/Q2CV4JXW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%