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PubMed code 23249297

Compile data set for download or QSAR
Found 75 hits of Enzyme Inhibition Constant Data   
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 A


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 100n/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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 500n/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
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 600n/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
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))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 600n/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
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))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 600n/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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 700n/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
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 700n/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
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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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
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))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 1.00E+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
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 1.10E+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
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))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 1.20E+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
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 EGFR (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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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 COT (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428740
PNG
(Bastadin 16 | CHEMBL2333164)
Show SMILES Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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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 aurora-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 1.40E+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
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 1.40E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 1.40E+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
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 CDK4/cyclin-D1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 1.60E+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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50428740
PNG
(Bastadin 16 | CHEMBL2333164)
Show SMILES Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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n/an/a 1.60E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 1.60E+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
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
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
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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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 aurora-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
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
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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
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
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 SRC (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 AKT1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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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 EGFR (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 2.10E+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
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 2.10E+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
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 2.10E+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
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 2.30E+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
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 2.30E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 2.40E+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
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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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-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 VEGFR3 (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428740
PNG
(Bastadin 16 | CHEMBL2333164)
Show SMILES Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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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 EGFR (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 INSR (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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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 aurora-B (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 PDGFR-beta (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 3.40E+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
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 3.40E+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
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 3.50E+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
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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n/an/a 3.60E+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
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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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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 PLK1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 4.00E+3n/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
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50428740
PNG
(Bastadin 16 | CHEMBL2333164)
Show SMILES Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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n/an/a 4.00E+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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 4.10E+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
More data for this
Ligand-Target Pair
Casein kinase II alpha


(Homo sapiens (Human))
BDBM50428737
PNG
(BASTADIN 3)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(c2)-c2cc(CC(N=O)C(=O)NCCc3ccc(O)c(Br)c3)cc(Br)c2O)N=O)cc1Br
Show InChI InChI=1S/C34H30Br4N4O8/c35-23-11-17(1-3-29(23)43)5-7-39-33(47)27(41-49)15-19-9-21(31(45)25(37)13-19)22-10-20(14-26(38)32(22)46)16-28(42-50)34(48)40-8-6-18-2-4-30(44)24(36)12-18/h1-4,9-14,27-28,43-46H,5-8,15-16H2,(H,39,47)(H,40,48)
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n/an/a 4.10E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of CK2-alpha1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50428740
PNG
(Bastadin 16 | CHEMBL2333164)
Show SMILES Oc1ccc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H27Br5N4O8/c35-20-9-19-13-26(43-49)34(47)41-6-4-17-7-21(36)31(22(37)8-17)50-28-14-16(1-2-27(28)44)3-5-40-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29(15-19)30(20)45/h1-2,7-11,14-15,25-26,44-45H,3-6,12-13H2,(H,40,46)(H,41,47)
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n/an/a 4.50E+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
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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n/an/a 4.80E+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
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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n/an/a 5.30E+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
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 6.40E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of PLK1 (unknown origin)


J Nat Prod 76: 121-5 (2013)


Article DOI: 10.1021/np300764u
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50428738
PNG
(CHEMBL2333163 | Sesquibastadin 1)
Show SMILES Oc1ccc(CCNC(=O)C(Cc2cc(Br)c(O)c(Oc3ccc(CCNC(=O)C(Cc4cc(Br)c(O)c(c4)-c4cc(CC(N=O)C(=O)NCCc5ccc(O)c(Br)c5)cc(Br)c4O)N=O)cc3Br)c2)N=O)cc1Br
Show InChI InChI=1S/C51H44Br6N6O12/c52-33-15-25(1-4-42(33)64)7-10-58-49(69)39(61-72)21-28-13-31(46(66)36(55)18-28)32-14-29(19-37(56)47(32)67)22-40(62-73)50(70)60-12-9-27-3-6-44(35(54)17-27)75-45-24-30(20-38(57)48(45)68)23-41(63-74)51(71)59-11-8-26-2-5-43(65)34(53)16-26/h1-6,13-20,24,39-41,64-68H,7-12,21-23H2,(H,58,69)(H,59,71)(H,60,70)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Heinrich-Heine University

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin-A (unknown origin)


J Nat Prod 76: 121-5 (2013)


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


(Homo sapiens (Human))
BDBM50241984
PNG
(BASTADIN 6 | CHEMBL505907 | bastadin-6)
Show SMILES Oc1c(Br)cc2CCNC(=O)C(Cc3cc(Br)c(Oc4cc(CC(N=O)C(=O)NCCc5cc(Br)c(Oc1c2)c(Br)c5)cc(Br)c4O)c(Br)c3)N=O
Show InChI InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,25-26,45-46H,1-4,11-12H2,(H,41,48)(H,42,47)
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n/an/a 7.00E+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
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
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
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
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%