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SMILES: C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3[C@](O)(CC(=C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O

InChI Key: InChIKey=KTLGTZSYLYAMTB-OJCSKBNASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50158227   
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))
BDBM50158227
PNG
(Aceticacid1-[4,5,6-triacetoxy-1-hydroxy-2,4a,11b-t...)
Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3[C@](O)(CC(=C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32|
Show InChI InChI=1S/C40H52O10/c1-23(30-14-11-10-12-15-30)21-40(45)24(2)20-33(48-27(5)42)38(9)32(40)17-18-37(8)31-16-13-19-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-16,20,25,31-36,45H,1,17-19,21-22H2,2-9H3/t25-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40+/m1/s1
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 19n/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
Potassium voltage-gated channel subfamily A member 3


(Homo sapiens (Human))
BDBM50158227
PNG
(Aceticacid1-[4,5,6-triacetoxy-1-hydroxy-2,4a,11b-t...)
Show SMILES C[C@@H](OC(C)=O)[C@]12COCC=CC1[C@]1(C)CCC3[C@](O)(CC(=C)c4ccccc4)C(C)=C[C@@H](OC(C)=O)[C@]3(C)C1[C@H](OC(C)=O)[C@@H]2OC(C)=O |c:10,32|
Show InChI InChI=1S/C40H52O10/c1-23(30-14-11-10-12-15-30)21-40(45)24(2)20-33(48-27(5)42)38(9)32(40)17-18-37(8)31-16-13-19-46-22-39(31,25(3)47-26(4)41)36(50-29(7)44)34(35(37)38)49-28(6)43/h10-16,20,25,31-36,45H,1,17-19,21-22H2,2-9H3/t25-,31?,32?,33-,34+,35?,36+,37+,38-,39-,40+/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 131n/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