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BDBM50182587 5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methoxybenzofuran::CHEMBL382154

SMILES: COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12

InChI Key: InChIKey=DPURAGOSIHFKPV-UHFFFAOYSA-N

Data: 6 EC50

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 = 50182587   
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
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
PDB
MMDB

KEGG

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/an/a 1.70E+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
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
PDB
MMDB

KEGG

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B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 4.80E+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
Voltage-gated potassium channel subunit Kv1.5


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
PDB

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antibodypedia
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PC sid
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Article
PubMed
n/an/an/an/a 700n/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 H member 2


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
PDB
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PubMed
n/an/an/an/a 5.00E+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
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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Article
PubMed
n/an/an/an/a 2.50E+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
Voltage-gated potassium channel subunit Kv1.3


(Mus musculus)
BDBM50182587
PNG
(5-acetyl-4-(4'-chloro)benzyloxy-6-hydroxy-7-methox...)
Show SMILES COc1c(O)c(C(C)=O)c(OCc2ccc(Cl)cc2)c2ccoc12
Show InChI InChI=1S/C18H15ClO5/c1-10(20)14-15(21)18(22-2)17-13(7-8-23-17)16(14)24-9-11-3-5-12(19)6-4-11/h3-8,21H,9H2,1-2H3
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Reactome pathway
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Article
PubMed
n/an/an/an/a 480n/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