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SMILES: COc1ccccc1[C@H](CC=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=OBPSDRDYLFGIBN-DRHDHJEXSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158209   
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))
BDBM50158209
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES COc1ccccc1[C@H](CC=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:22,55|
Show InChI InChI=1S/C43H58O11/c1-11-15-31(32-16-12-13-17-33(32)49-10)23-43(48)25(2)22-36(52-28(5)45)41(9)35(43)19-20-40(8)34-18-14-21-50-24-42(34,26(3)51-27(4)44)39(54-30(7)47)37(38(40)41)53-29(6)46/h11-14,16-18,22,26,31,34-39,48H,1,15,19-21,23-24H2,2-10H3/t26-,31-,34?,35?,36-,37+,38?,39+,40+,41-,42-,43?/m1/s1
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Similars

Article
PubMed
n/an/a 32.9n/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))
BDBM50158209
PNG
(Aceticacid(R)-1-{(4R,4aR,5S,6R,6aR,11bS)-4,5,6-tri...)
Show SMILES COc1ccccc1[C@H](CC=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:22,55|
Show InChI InChI=1S/C43H58O11/c1-11-15-31(32-16-12-13-17-33(32)49-10)23-43(48)25(2)22-36(52-28(5)45)41(9)35(43)19-20-40(8)34-18-14-21-50-24-42(34,26(3)51-27(4)44)39(54-30(7)47)37(38(40)41)53-29(6)46/h11-14,16-18,22,26,31,34-39,48H,1,15,19-21,23-24H2,2-10H3/t26-,31-,34?,35?,36-,37+,38?,39+,40+,41-,42-,43?/m1/s1
PDB
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Reactome pathway
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UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 21n/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