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PubMed code 19042133

Compile data set for download or QSAR
Found 4 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))
BDBM50265823
PNG
(CHEMBL516634 | candelalide B)
Show SMILES COc1oc(C)c(C)c(=O)c1C[C@@H]1C(=C)CC[C@H]2[C@@]3(C)CC(=O)C(O[C@@H]3CC[C@]12C)C(C)(C)O |r|
Show InChI InChI=1S/C28H40O6/c1-15-9-10-21-27(6,19(15)13-18-23(30)16(2)17(3)33-25(18)32-8)12-11-22-28(21,7)14-20(29)24(34-22)26(4,5)31/h19,21-22,24,31H,1,9-14H2,2-8H3/t19-,21-,22-,24?,27-,28-/m1/s1
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Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Kv1.3 potassium channel (unknown origin) expressed in CHO cells by 86Rb efflux experiment


Bioorg Med Chem 17: 2304-9 (2009)


Article DOI: 10.1016/j.bmc.2008.11.001
BindingDB Entry DOI: 10.7270/Q2R21172
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50265824
PNG
(CHEMBL460814 | candelalide C)
Show SMILES COc1oc(C)c(C)c(=O)c1C[C@H]1C(=C)CC[C@H]2[C@@]3(C)CC=C(O[C@@H]3CC[C@]12C)C(C)(C)O |r,c:22|
Show InChI InChI=1S/C28H40O5/c1-16-9-10-21-27(6,13-12-23-28(21,7)14-11-22(33-23)26(4,5)30)20(16)15-19-24(29)17(2)18(3)32-25(19)31-8/h11,20-21,23,30H,1,9-10,12-15H2,2-8H3/t20-,21+,23+,27+,28+/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Kv1.3 potassium channel (unknown origin) expressed in CHO cells by 86Rb efflux experiment


Bioorg Med Chem 17: 2304-9 (2009)


Article DOI: 10.1016/j.bmc.2008.11.001
BindingDB Entry DOI: 10.7270/Q2R21172
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50266317
PNG
(CHEMBL515037 | candelalide A)
Show SMILES COc1oc(C)c(C)c(=O)c1C[C@@H]1C(=C)CC[C@@H]2[C@]1(C)CC[C@H]1OC=CC[C@]21C |r,c:26|
Show InChI InChI=1S/C25H34O4/c1-15-8-9-20-24(4,12-10-21-25(20,5)11-7-13-28-21)19(15)14-18-22(26)16(2)17(3)29-23(18)27-6/h7,13,19-21H,1,8-12,14H2,2-6H3/t19-,20-,21-,24-,25-/m1/s1
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PubMed
n/an/a 3.70E+3n/an/an/an/an/an/a



Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated Kv1.3 potassium channel (unknown origin) expressed in CHO cells by 86Rb efflux experiment


Bioorg Med Chem 17: 2304-9 (2009)


Article DOI: 10.1016/j.bmc.2008.11.001
BindingDB Entry DOI: 10.7270/Q2R21172
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50265825
PNG
(CHEMBL516932 | Nalanthalide)
Show SMILES [#6]-[#8]-c1oc(-[#6])c(-[#6])c(=O)c1-[#6]-[#6@@H]1-[#6](=[#6])-[#6]-[#6]-[#6@H]2[C@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H](-[#6]-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O |r|
Show InChI InChI=1S/C30H44O5/c1-18(2)11-10-15-30(8)25-13-12-19(3)24(29(25,7)16-14-26(30)35-22(6)31)17-23-27(32)20(4)21(5)34-28(23)33-9/h11,24-26H,3,10,12-17H2,1-2,4-9H3/t24-,25-,26+,29-,30+/m1/s1
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CHEMBL
MCE
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Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



Institute of Molecular Physiology

Curated by ChEMBL


Assay Description
Antagonist activity at voltage-gated Kv1.3 potassium channel (unknown origin)


Bioorg Med Chem 17: 2304-9 (2009)


Article DOI: 10.1016/j.bmc.2008.11.001
BindingDB Entry DOI: 10.7270/Q2R21172
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%