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BDBM50150778 Bastadin-7::Bastadins 7::CHEMBL360190::bastadin 7::polybrominated diphenyl ether derivative

SMILES: Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O

InChI Key: InChIKey=VRDYCFRZLGLDCE-UHFFFAOYSA-N

Data: 21 IC50  1 EC50

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 22 hits for monomerid = 50150778   
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
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin-D1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Ryanodine receptor 1


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/an/an/a 6.30E+3n/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to RYR1 channels by calcium mobilization assay


Bioorg Med Chem Lett 18: 5734-7 (2009)


Article DOI: 10.1016/j.bmcl.2008.09.080
BindingDB Entry DOI: 10.7270/Q2NV9K5T
More data for this
Ligand-Target Pair
12-Lipoxygenase (12-LOX)


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human platelet 12-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
Arachidonate 15-lipoxygenase


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 4.00E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibitory effect on human reticulocyte 15-lipoxygenase


J Med Chem 47: 4060-5 (2004)


Article DOI: 10.1021/jm049872s
BindingDB Entry DOI: 10.7270/Q2SX6CPV
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of ARK5 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 3.90E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of aurora-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 3.30E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of COT (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of EGFR (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 7.70E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of EPHB4 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of ERBB2 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of FLT3 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of IGF1R (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 7.30E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of FAK (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of INSR (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of MET (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.02E+4n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of PDGFR-beta (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of SAK (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of SRC (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
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))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of TIE2 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
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))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 1.30E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50150778
PNG
(Bastadin-7 | Bastadins 7 | CHEMBL360190 | bastadin...)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3ccc(Oc4cc(CC(N=O)C(=O)NC=Cc5ccc(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O |w:29.29|
Show InChI InChI=1S/C34H26Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-33(45)25(41-47)13-18-2-4-28(22(36)10-18)50-30-16-20(12-24(38)32(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,25-26,43-44H,6,8,13-14H2,(H,39,46)(H,40,45)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of aurora-B (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
BindingDB Entry DOI: 10.7270/Q21N82F5
More data for this
Ligand-Target Pair