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SMILES: COC(=O)C12O[C@@H]1C(=C)C[C@@]1(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C

InChI Key: InChIKey=MFXYLISNUGVFGR-NPOLIDLOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50158202   
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))
BDBM50158202
PNG
(CHEMBL434526 | Correloid derivative)
Show SMILES COC(=O)C12O[C@@H]1C(=C)C[C@@]1(O)C3CC[C@@]4(C)C5C=CCOC[C@]5([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C4[C@@]3(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@]21C |c:19|
Show InChI InChI=1S/C40H54O15/c1-19-17-39(47)27-14-15-35(8)26-13-12-16-49-18-38(26,20(2)50-21(3)41)31(52-23(5)43)28(51-22(4)42)29(35)36(27,9)32(53-24(6)44)33(54-25(7)45)37(39,10)40(30(19)55-40)34(46)48-11/h12-13,20,26-33,47H,1,14-18H2,2-11H3/t20-,26?,27?,28+,29?,30-,31+,32-,33+,35+,36+,37-,38-,39-,40?/m1/s1
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MMDB

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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against voltage-gated potassium channel subunit Kv1.3


Bioorg Med Chem Lett 15: 447-51 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.058
BindingDB Entry DOI: 10.7270/Q2BP0281
More data for this
Ligand-Target Pair