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BDBM50164888 6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene]-3H-benzofuran-2-one::CHEMBL195416::isoaurostatin

SMILES: Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1

InChI Key: InChIKey=DJGNNZVFOBIPMK-NTUHNPAUSA-N

Data: 20 IC50

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 20 hits for monomerid = 50164888   
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
DNA topoisomerase


(Bos taurus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a 3.07E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition calf thymus gland topoisomerase 1 assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA topoisomerase II activity


Bioorg Med Chem Lett 15: 2065-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.052
BindingDB Entry DOI: 10.7270/Q2WH2R6D
More data for this
Ligand-Target Pair
DNA topoisomerase 1


(Cercopithecus aethiops)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in african green monkey Vero cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in human A549 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in human COLO201 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in human HeLa cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Topoisomerase II alpha (HuTopoIIα)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition human placenta topoisomerase 2 assessed as conversion of catenated kinetoplast DNA to minicircle monomer


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
CAM-RNase A


(Bison bison (American bison))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreas RNase A assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Deoxyribonuclease-1


(Bos taurus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of bovine pancreas DNase 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Deoxyribonuclease-2-alpha


(Sus scrofa)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of porcine spleen DNase 2 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Bacteriophage T4 DNA Ligase


(Bacteriophage T4)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of T4 ligase from bacteriophage infected Escherichia coli assessed as ligation of supercoiled pBR322 DNA


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Type-2 restriction enzyme BamHI


(Bacillus amyloliquefaciens)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus amyloliquifaction Bam H1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Type-2 restriction enzyme EcoRI


(Escherichia coli)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli Eco R1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Type-2 restriction enzyme HindIII


(Haemophilus influenzae)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae Hind 3 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Type-2 restriction enzyme PstI


(Providencia stuartii)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Providencia stuartii Pst 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Type-2 restriction enzyme ScaI


(Streptomyces caespitosus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of Streptomyces caespitosus Sca 1 assessed as undigested supercoiled pBR322 DNA concentration


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
Telomerase reverse transcriptase


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition of telomerase from human COLO201 cell


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair
DNA topoisomerase I (Topo I)


(Homo sapiens (Human))
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a 3.07E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA topoisomerase I activity


Bioorg Med Chem Lett 15: 2065-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.052
BindingDB Entry DOI: 10.7270/Q2WH2R6D
More data for this
Ligand-Target Pair
DNA topoisomerase I


(Mus musculus)
BDBM50164888
PNG
(6-Hydroxy-3-[1-(4-hydroxy-phenyl)-meth-(E)-ylidene...)
Show SMILES Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1
Show InChI InChI=1S/C15H10O4/c16-10-3-1-9(2-4-10)7-13-12-6-5-11(17)8-14(12)19-15(13)18/h1-8,16-17H/b13-7+
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n/an/a>4.00E+5n/an/an/an/an/an/a



Kumamoto University

Curated by ChEMBL


Assay Description
Inhibition topoisomerase 1 in mouse NIH/3T3 cells assessed as conversion of supercoiled pBR322 DNA to relaxed form


J Nat Prod 64: 204-7 (2001)


Article DOI: 10.1021/np0004606
BindingDB Entry DOI: 10.7270/Q2W37W21
More data for this
Ligand-Target Pair