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BDBM50259982 CHEMBL471187::US10106521, Compound Eckol::eckol

SMILES: Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1

InChI Key: InChIKey=PCZZRBGISTUIOA-UHFFFAOYSA-N

Data: 2 KI  4 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50259982   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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Article
PubMed
8.20E+3n/an/an/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Competitive inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli ...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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PubMed
1.39E+4n/an/an/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Noncompetitive inhibition of human recombinant BACE1 after 60 mins by Dixon plot analysis


Bioorg Med Chem Lett 20: 3211-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.093
BindingDB Entry DOI: 10.7270/Q25B02NZ
More data for this
Ligand-Target Pair
3C-like proteinase (3CL-PRO)


(Human SARS coronavirus (SARS-CoV) (Severe acute re...)
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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n/an/a 8.80E+3n/an/an/an/an/an/a



Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL


Assay Description
Inhibition of C-terminal His6-tagged recombinant SARS coronavirus 3C-like protease trans-cleavage activity expressed in Escherichia coli BL21 (DE3) u...


Bioorg Med Chem 21: 3730-7 (2013)


Article DOI: 10.1016/j.bmc.2013.04.026
BindingDB Entry DOI: 10.7270/Q24J0J2W
More data for this
Ligand-Target Pair
Cholinesterases


(Homo sapiens (Human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
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US Patent
n/an/a 3.32E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)


BindingDB Entry DOI: 10.7270/Q2Z60R3T
More data for this
Ligand-Target Pair
Beta-secretase 1


(Homo sapiens (Human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
PDB
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Article
PubMed
n/an/a 1.22E+4n/an/an/an/an/an/a



Pukyong National University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BACE1 after 60 mins by FRET assay


Bioorg Med Chem Lett 20: 3211-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.093
BindingDB Entry DOI: 10.7270/Q25B02NZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50259982
PNG
(CHEMBL471187 | US10106521, Compound Eckol | eckol)
Show SMILES Oc1cc(O)cc(Oc2c(O)cc(O)c3Oc4cc(O)cc(O)c4Oc23)c1
Show InChI InChI=1S/C18H12O9/c19-7-1-8(20)3-10(2-7)25-16-12(23)6-13(24)17-18(16)27-15-11(22)4-9(21)5-14(15)26-17/h1-6,19-24H
PDB
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US Patent
n/an/a 4.51E+4n/an/an/an/a7.425



Phloronol, Inc.

US Patent


Assay Description
Enzyme activities were determined at room temperature. Ultraviolet absorbance was measured spectrophotometrically by a modification of a previously d...


US Patent US10106521 (2018)


BindingDB Entry DOI: 10.7270/Q2Z60R3T
More data for this
Ligand-Target Pair