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SMILES: COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12

InChI Key: InChIKey=JVIQXYQBYHGBQA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50182585   
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


(Mus musculus)
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 400n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of mouse Kv1.3 channel expressed in L929 cells


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 5


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 900n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv1.5 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 4


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 4.30E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv1.4 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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n/an/an/an/a 9.00E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv11.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 2


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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PubMed
n/an/an/an/a 1.40E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv1.2 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1


(Homo sapiens (Human))
BDBM50182585
PNG
(5-acetyl-7-(4'-bromo)benzyloxy-6-hydroxy-4-methoxy...)
Show SMILES COc1c(C(C)=O)c(O)c(OCc2ccc(Br)cc2)c2occc12
Show InChI InChI=1S/C18H15BrO5/c1-10(20)14-15(21)18(17-13(7-8-23-17)16(14)22-2)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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PubMed
n/an/an/an/a 1.20E+3n/an/an/an/a



Institute of Medical Research Biotechnology Centre

Curated by ChEMBL


Assay Description
Effect on blockade of Kv1.1 channel


J Med Chem 49: 1433-41 (2006)


Article DOI: 10.1021/jm050839v
BindingDB Entry DOI: 10.7270/Q2KW5FM6
More data for this
Ligand-Target Pair