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SMILES: CCc1ccccc1[C@H](C)CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C

InChI Key: InChIKey=LMCXWIRTHSXGDY-CHRSBYMISA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158206   
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))
BDBM50158206
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES CCc1ccccc1[C@H](C)CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C |c:20,53|
Show InChI InChI=1S/C42H58O10/c1-11-31-15-12-13-16-32(31)24(2)22-42(47)25(3)21-35(50-28(6)44)40(10)34(42)18-19-39(9)33-17-14-20-48-23-41(33,26(4)49-27(5)43)38(52-30(8)46)36(37(39)40)51-29(7)45/h12-17,21,24,26,33-38,47H,11,18-20,22-23H2,1-10H3/t24-,26-,33?,34?,35-,36+,37?,38+,39+,40-,41-,42?/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 36.8n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against voltage-gated potassium channel subunit Kv1.3 of human T cells


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
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50158206
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES CCc1ccccc1[C@H](C)CC1(O)C2CC[C@@]3(C)C4C=CCOC[C@]4([C@@H](C)OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C3[C@@]2(C)[C@H](OC(C)=O)C=C1C |c:20,53|
Show InChI InChI=1S/C42H58O10/c1-11-31-15-12-13-16-32(31)24(2)22-42(47)25(3)21-35(50-28(6)44)40(10)34(42)18-19-39(9)33-17-14-20-48-23-41(33,26(4)49-27(5)43)38(52-30(8)46)36(37(39)40)51-29(7)45/h12-17,21,24,26,33-38,47H,11,18-20,22-23H2,1-10H3/t24-,26-,33?,34?,35-,36+,37?,38+,39+,40-,41-,42?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of voltage-gated potassium channel subunit Kv1.3 in chinese hamster ovary cells


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