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Compile Data Set for Download or QSAR

Found 340 hits with Last Name = 'edrada-ebel' and Initial = 'r'   
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
Cyclin-dependent kinase 4/G1/S-specific cyclin-D1


(Homo sapiens (Human))
BDBM50480485
PNG
(Altersolanol A | CHEBI:2615)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
Show InChI InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant CDK4/CycD1


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50480485
PNG
(Altersolanol A | CHEBI:2615)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
Show InChI InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
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n/an/a 2.25E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 2.26E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant SAK


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50480484
PNG
(Macrosporin)
Show SMILES COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3
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n/an/a 2.28E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 2.74E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant SRC


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50480484
PNG
(Macrosporin)
Show SMILES COc1cc(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O5/c1-7-3-9-10(6-12(7)17)16(20)14-11(15(9)19)4-8(21-2)5-13(14)18/h3-6,17-18H,1-2H3
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n/an/a 2.99E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
More data for this
Ligand-Target Pair
Insulin-like growth factor 1 receptor


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 3.07E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant IGF1R


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
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
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
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
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
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
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
Aurora kinase A


(Homo sapiens (Human))
BDBM50480485
PNG
(Altersolanol A | CHEBI:2615)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
Show InChI InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
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n/an/a 3.86E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora A


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
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
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
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
Aurora kinase B


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 3.88E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant Aurora B


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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))
BDBM50480483
PNG
(6-O-Methylalaternin | CHEMBL556684)
Show SMILES COc1cc(O)c2C(=O)c3c(O)c(O)c(C)cc3C(=O)c2c1
Show InChI InChI=1S/C16H12O6/c1-6-3-8-12(16(21)13(6)18)15(20)11-9(14(8)19)4-7(22-2)5-10(11)17/h3-5,17-18,21H,1-2H3
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n/an/a 3.99E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 4.36E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant EGFR


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50480485
PNG
(Altersolanol A | CHEBI:2615)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1 |r,t:9|
Show InChI InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1
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n/an/a 4.46E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant FAK


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50480482
PNG
(Alterporriol G/H | CHEBI:65389)
Show SMILES COc1cc(O)c2C(=O)C3=C([C@@H](O)[C@](C)(O)[C@H](O)[C@H]3O)C(=O)c2c1-c1c(O)c2C(=O)c3cc(O)c(C)cc3C(=O)c2cc1OC |r,wU:18.19,11.11,13.13,wD:16.16,t:9,(-6.62,-6.52,;-5.29,-5.75,;-3.96,-6.52,;-3.96,-8.06,;-2.63,-8.83,;-2.63,-10.37,;-1.3,-8.07,;.04,-8.83,;.05,-10.37,;1.38,-8.06,;1.38,-6.5,;2.72,-5.72,;2.71,-4.19,;4.06,-6.5,;4.82,-5.16,;5.38,-7.27,;4.07,-8.06,;5.4,-8.82,;2.72,-8.83,;2.72,-10.37,;.03,-5.73,;.02,-4.19,;-1.3,-6.52,;-2.63,-5.75,;-2.6,-3.5,;-1.27,-2.73,;.06,-3.5,;-1.26,-1.19,;.06,-.41,;1.4,-1.16,;.05,1.13,;1.37,1.91,;1.36,3.45,;2.68,4.23,;.01,4.21,;-.01,5.74,;-1.31,3.42,;-1.29,1.89,;-2.62,1.11,;-3.96,1.87,;-2.6,-.43,;-3.93,-1.19,;-3.93,-2.74,;-5.26,-3.5,;-6.59,-2.73,)|
Show InChI InChI=1S/C32H26O13/c1-9-5-10-11(6-13(9)33)25(36)17-12(24(10)35)7-15(44-3)20(26(17)37)19-16(45-4)8-14(34)18-21(19)28(39)23-22(27(18)38)29(40)31(42)32(2,43)30(23)41/h5-8,29-31,33-34,37,40-43H,1-4H3/t29-,30+,31+,32-/m0/s1
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n/an/a 4.52E+3n/an/an/an/an/an/a



Heinrich-Heine-Universitat

Curated by ChEMBL


Assay Description
Inhibition of recombinant FLT3


J Nat Prod 72: 626-31 (2009)


Article DOI: 10.1021/np8004997
BindingDB Entry DOI: 10.7270/Q2ZS30C9
More data for this
Ligand-Target Pair
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