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BDBM50479264 Alternariol 5-O-Sulfate::CHEMBL483525

SMILES: Cc1cc(O)cc2oc(=O)c3c(O)cc(OS(O)(=O)=O)cc3c12

InChI Key: InChIKey=IOBDCMVQCAWFQQ-UHFFFAOYSA-N

Data: 24 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 24 hits for monomerid = 50479264   
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
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 3.80n/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
Hepatocyte growth factor receptor


(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 7.60n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant MET


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 7n/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
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 3.30n/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 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 7.40n/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 7.5n/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
Epidermal growth factor receptor


(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 4.20n/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 1.30n/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
Serine/threonine-protein kinase PLK1


(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 4.40n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant PLK1


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
Casein kinase II subunit alpha


(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 2n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant CK2alpha1


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
Focal adhesion kinase 1/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 1.70n/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
Insulin receptor


(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 2.90n/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
RAC-alpha serine/threonine-protein kinase


(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>1n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKT1


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
Calmodulin/Proto-oncogene tyrosine-protein kinase Src


(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 5.60n/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
Mitogen-activated protein kinase kinase kinase 8


(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 7.5n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant COT


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))
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 2.20n/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
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 8.40n/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
Cyclin-Dependent Kinase 4 (CDK4)


(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 2.70n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK4/CycD1


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 3.90n/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
Receptor tyrosine-protein kinase erbB-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 8.40n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant ERBB2


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
Focal adhesion kinase 1/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 2.10n/an/an/an/an/an/a



Heinrich-Heine-Universit£t

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK


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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(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 6.80n/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
Insulin-like growth factor I receptor


(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 4.90n/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
Ephrin type-B receptor 4


(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 3.10n/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