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7 similar compounds to monomer 50042034

Compile data set for download or QSAR
Wt: 364.3
BDBM50259539
Wt: 330.3
BDBM50336459
Wt: 330.3
BDBM50336460
Wt: 364.3
BDBM50347544
Wt: 364.3
BDBM50347545
Wt: 364.3
BDBM50347546
Wt: 348.3
BDBM50379078

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50259539,50336459,50336460,50347544,50347545,50347546,50379078   
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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 1.60E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3 in cell free system after 90 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 2


(Homo sapiens (Human))
BDBM50379078
PNG
(CHEMBL2012394)
Show SMILES COc1cc(O)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1/C19H24O6/c1-12-6-5-9-16(21)15(20)8-4-3-7-13-10-14(24-2)11-17(22)18(13)19(23)25-12/h3,5,7,9-12,15-16,20-22H,4,6,8H2,1-2H3/b7-3+,9-5+/t12-,15-,16+/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MNK2


ACS Med Chem Lett 2: 662-666 (2011)


Article DOI: 10.1021/ml200067t
BindingDB Entry DOI: 10.7270/Q24J0G4Z
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50379078
PNG
(CHEMBL2012394)
Show SMILES COc1cc(O)c2c(c1)\C=C\CC[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1/C19H24O6/c1-12-6-5-9-16(21)15(20)8-4-3-7-13-10-14(24-2)11-17(22)18(13)19(23)25-12/h3,5,7,9-12,15-16,20-22H,4,6,8H2,1-2H3/b7-3+,9-5+/t12-,15-,16+/s2
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n/an/a 1.90E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A using 5-FAM-GGGPATPKKAKKL-COOH as substrate after 1 hr by IMAP assay


ACS Med Chem Lett 2: 662-666 (2011)


Article DOI: 10.1021/ml200067t
BindingDB Entry DOI: 10.7270/Q24J0G4Z
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50347544
PNG
(ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/s2
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n/an/a 1.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.037
BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 7


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/s2
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of TAK1 (unknown origin)


Bioorg Med Chem 23: 6993-9 (2015)


Article DOI: 10.1016/j.bmc.2015.09.037
BindingDB Entry DOI: 10.7270/Q25D8TNS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50259539
PNG
(CHEMBL468117 | L-783279 | dihydroxymethylzearaleno...)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15+,18+/s2
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n/an/a 200n/an/an/an/an/an/a



AMRI

Curated by ChEMBL


Assay Description
Inhibition of LCK (unknown origin)


Bioorg Med Chem Lett 19: 3059-62 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.005
BindingDB Entry DOI: 10.7270/Q2MG7PDB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 3


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK1 expressed in E.coli after 30 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta expressed in insect cells after 30 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 9.20E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta expressed in insect cells after 30 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 1.50E+4n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR1 expressed in Sf9 cells after 10 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-kit kinase in cell free system after 30 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 5.10E+4n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR1 expressed in Sf9 cells after 10 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 1.30E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-kit kinase in cell free system after 30 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 450n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 27n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha in cell free system after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ERK2 expressed in E.coli after 15 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 330n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 590n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT-3 kinase expressed in insect cells after 90 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3alpha in cell free system after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3-beta in cell free system after 90 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 1.00E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in Sf9 cells after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a 2.30E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2 expressed in Sf9 cells after 60 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 2.20E+4n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MEK1 expressed in insect cells after 20 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50336460
PNG
((S,9E,15Z)-2-ethyl-4,7-dimethyl-5,11-dimethylene-5...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4-,10-6+/t13-/s2
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n/an/a>1.00E+5n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MEK1 expressed in insect cells after 20 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347544
PNG
(ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347545
PNG
(CHEMBL1801949)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14+,15-,18+/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/s2
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50336459
PNG
((S,5E,11E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10...)
Show SMILES COc1cc(O)c2c(c1)C=CCCCC(=O)C=CC[C@H](C)OC2=O
Show InChI InChI=1/C19H22O5/c1-13-7-6-10-15(20)9-5-3-4-8-14-11-16(23-2)12-17(21)18(14)19(22)24-13/h4,6,8,10-13,21H,3,5,7,9H2,1-2H3/b8-4+,10-6+/t13-/s2
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n/an/a 1.40E+3n/an/an/an/an/an/a



National University of Ireland

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3 in cell free system after 90 mins


Bioorg Med Chem Lett 21: 1167-70 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.100
BindingDB Entry DOI: 10.7270/Q23T9HH5
More data for this
Ligand-Target Pair