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Compile Data Set for Download or QSAR

Found 244 hits Enz. Inhib. hit(s) with all data for entry = 50004135   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Aurora kinase B


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 650n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 975n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 1.12E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAK


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 1.15E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 1.21E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant ARK5


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 1.35E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 1.62E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 1.66E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 1.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 2.06E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 2.18E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant B-RAF-V600E mutant


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 2.21E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant ARK5


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 2.22E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 2.48E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK2/CycA


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 2.78E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 2.82E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 2.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAK


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 3.15E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGF1R


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.44E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRbeta


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 3.52E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.56E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant ARK5


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 3.67E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.71E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAK


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50576
PNG
(2-(4,5-dihydroxy-2-methyl-phenyl)-6-hydroxy-4-meth...)
Show SMILES COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
Show InChI InChI=1S/C15H14O6/c1-7-3-11(16)12(17)6-9(7)10-4-8(21-2)5-13(18)14(10)15(19)20/h3-6,16-18H,1-2H3,(H,19,20)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 3.81E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 3.81E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 3.84E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PDGFRbeta


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3 phosphorylation transfected in mouse embryonic fibroblast


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGF1R phosphorylation transfected in mouse embryonic fibroblast


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 phosphorylation in human HUE cells


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 3.87E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B phosphorylation in human HT29 cells


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 3.97E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 4.04E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SRC


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant INSR


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 4.77E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAK


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50479261
PNG
(Altertoxin I)
Show SMILES [H][C@]12[C@@H](O)CC(=O)c3c(O)ccc(-c4ccc(O)c5C(=O)CC[C@]1(O)c45)c23 |r|
Show InChI InChI=1S/C20H16O6/c21-10-3-1-8-9-2-4-11(22)17-12(23)5-6-20(26,18(9)17)19-14(25)7-13(24)16(10)15(8)19/h1-4,14,19,21-22,25-26H,5-7H2/t14-,19+,20-/m0/s1
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n/an/a 4.82E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGF1R


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 4.85E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant SRC


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Angiopoietin-1 receptor


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 4.85E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant TIE2


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50479264
PNG
(Alternariol 5-O-Sulfate | CHEMBL483525)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12
Show InChI InChI=1S/C14H10O8S/c1-6-2-7(15)3-11-12(6)9-4-8(22-23(18,19)20)5-10(16)13(9)14(17)21-11/h2-5,15-16H,1H3,(H,18,19,20)
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n/an/a 5.02E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50479267
PNG
(Alternariol | CHEBI:64983)
Show SMILES Cc1cc(O)cc2oc(=O)c3c(O)cc(O)cc3c12
Show InChI InChI=1S/C14H10O5/c1-6-2-7(15)5-11-12(6)9-3-8(16)4-10(17)13(9)14(18)19-11/h2-5,15-17H,1H3
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n/an/a 5.03E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4


(Homo sapiens (Human))
BDBM50276157
PNG
(Alternariol 5-O-Methyl Ether | CHEMBL483526)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)cc1oc2=O
Show InChI InChI=1S/C15H12O5/c1-7-3-8(16)4-12-13(7)10-5-9(19-2)6-11(17)14(10)15(18)20-12/h3-6,16-17H,1-2H3
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n/an/a 5.14E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant EPHB4


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50479266
PNG
(CHEMBL520144)
Show SMILES COc1cc(O)c2c(c1)c1c(C)cc(O)c(O)c1oc2=O
Show InChI InChI=1S/C15H12O6/c1-6-3-10(17)13(18)14-11(6)8-4-7(20-2)5-9(16)12(8)15(19)21-14/h3-5,16-18H,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant B-RAF-V600E mutant


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50479263
PNG
(Desmethylaltenusin)
Show SMILES Cc1cc(O)c(O)cc1-c1cc(O)cc(O)c1C(O)=O
Show InChI InChI=1S/C14H12O6/c1-6-2-10(16)11(17)5-8(6)9-3-7(15)4-12(18)13(9)14(19)20/h2-5,15-18H,1H3,(H,19,20)
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n/an/a 5.43E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50576
PNG
(2-(4,5-dihydroxy-2-methyl-phenyl)-6-hydroxy-4-meth...)
Show SMILES COc1cc(O)c(C(O)=O)c(c1)-c1cc(O)c(O)cc1C
Show InChI InChI=1S/C15H14O6/c1-7-3-11(16)12(17)6-9(7)10-4-8(21-2)5-13(18)14(10)15(19)20/h3-6,16-18H,1-2H3,(H,19,20)
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Article
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n/an/a 5.51E+3n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 71: 972-80 (2008)


Article DOI: 10.1021/np070447m
BindingDB Entry DOI: 10.7270/Q2GB26VV
More data for this
Ligand-Target Pair
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