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Compile Data Set for Download or QSAR

Found 129 hits with Last Name = 'murphy' and Initial = 'pv'   
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
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Shandong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human SSTR4


Bioorg Med Chem Lett 21: 824-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.088
BindingDB Entry DOI: 10.7270/Q23N23NM
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50333650
PNG
(5-(((2R,3R,4R,5S)-1-(2-(1H-indol-3-yl)ethyl)-3,4,5...)
Show SMILES NCCCCCOC[C@@H]1[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H](CN1CCc1c[nH]c2ccccc12)OCc1ccccc1 |r|
Show InChI InChI=1S/C42H51N3O4/c43-24-13-4-14-26-46-32-39-41(48-30-34-17-7-2-8-18-34)42(49-31-35-19-9-3-10-20-35)40(47-29-33-15-5-1-6-16-33)28-45(39)25-23-36-27-44-38-22-12-11-21-37(36)38/h1-3,5-12,15-22,27,39-42,44H,4,13-14,23-26,28-32,43H2/t39-,40+,41-,42-/m1/s1
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5.00E+3n/an/an/an/an/an/an/an/a



Shandong University School of Medicine

Curated by ChEMBL


Assay Description
Binding affinity to human SSTR5


Bioorg Med Chem Lett 21: 824-8 (2011)


Article DOI: 10.1016/j.bmcl.2010.11.088
BindingDB Entry DOI: 10.7270/Q23N23NM
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 0.240n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 0.490n/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 3


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 0.5n/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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 2n/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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 4.90n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 9.60n/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
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50000130
PNG
(CHEMBL320550)
Show SMILES OC1C(O)C(NC(=O)COc2ccc(Cl)cc2Cl)OC(C1O)C(O)=O
Show InChI InChI=1S/C14H15Cl2NO8/c15-5-1-2-7(6(16)3-5)24-4-8(18)17-13-11(21)9(19)10(20)12(25-13)14(22)23/h1-3,9-13,19-21H,4H2,(H,17,18)(H,22,23)
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n/an/a 10n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
24% inhibition of FGF-2 binding to heparin-albumin by ELISA


Bioorg Med Chem Lett 12: 3287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP45G2
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 12n/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
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 |r,w:16.16,9.9|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 41n/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
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50000128
PNG
(CHEMBL113091)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)NC1OC(C(O)C(O)C1O)C(O)=O
Show InChI InChI=1S/C16H21NO10/c1-24-7-4-6(5-8(25-2)12(7)26-3)14(21)17-15-11(20)9(18)10(19)13(27-15)16(22)23/h4-5,9-11,13,15,18-20H,1-3H3,(H,17,21)(H,22,23)
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n/an/a 58n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
23% inhibition of FGF-2 binding to heparin-albumin by ELISA


Bioorg Med Chem Lett 12: 3287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP45G2
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336462
PNG
((3S,5R,E)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3...)
Show SMILES COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H23BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h4,6,9,11-12,14,22H,3,5,7-8,10H2,1-2H3/b6-4+/t12-,14+/m0/s1
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n/an/a 87n/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))
BDBM50336461
PNG
((S,E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,1...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 89n/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
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50421574
PNG
(CHEMBL2303729)
Show SMILES O[C@@H]1[C@H](O)[C@H](OCCN2C(=O)CCC2=O)O[C@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C12H17NO9/c14-5-1-2-6(15)13(5)3-4-21-12-9(18)7(16)8(17)10(22-12)11(19)20/h7-10,12,16-18H,1-4H2,(H,19,20)/t7-,8-,9-,10+,12+/m0/s1
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n/an/a<100n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
25% inhibition of FGF-2 binding to heparin-albumin by ELISA


Bioorg Med Chem Lett 12: 3287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP45G2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM519
PNG
((2S)-N-[(2S,3R)-4-[(3S,4aS,8aS)-3-(tert-butylcarba...)
Show SMILES [H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)c1ccc3ccccc3n1)[C@@H](C2)C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C38H50N6O5/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49)/t26-,27+,30-,31-,32-,33+/m0/s1
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n/an/a 270n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 12: 1763-6 (2002)


BindingDB Entry DOI: 10.7270/Q22R3S65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50336461
PNG
((S,E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,1...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 310n/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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336461
PNG
((S,E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,1...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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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))
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 |r,w:16.16,9.9|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Fibroblast growth factor 2


(Homo sapiens (Human))
BDBM50421574
PNG
(CHEMBL2303729)
Show SMILES O[C@@H]1[C@H](O)[C@H](OCCN2C(=O)CCC2=O)O[C@H]([C@H]1O)C(O)=O |r|
Show InChI InChI=1S/C12H17NO9/c14-5-1-2-6(15)13(5)3-4-21-12-9(18)7(16)8(17)10(22-12)11(19)20/h7-10,12,16-18H,1-4H2,(H,19,20)/t7-,8-,9-,10+,12+/m0/s1
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n/an/a 340n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
25% inhibition of FGF-2 binding to heparin-albumin by ELISA


Bioorg Med Chem Lett 12: 3287-90 (2002)


BindingDB Entry DOI: 10.7270/Q2ZP45G2
More data for this
Ligand-Target Pair
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM517
PNG
((2S)-1-[(2S,4R)-4-benzyl-2-hydroxy-4-{[(1S,2R)-2-h...)
Show SMILES CC(C)(C)NC(=O)[C@@H]1CN(Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r|
Show InChI InChI=1S/C36H47N5O4/c1-36(2,3)39-35(45)31-24-40(22-26-12-9-15-37-21-26)16-17-41(31)23-29(42)19-28(18-25-10-5-4-6-11-25)34(44)38-33-30-14-8-7-13-27(30)20-32(33)43/h4-15,21,28-29,31-33,42-43H,16-20,22-24H2,1-3H3,(H,38,44)(H,39,45)/t28-,29+,31+,32-,33+/m1/s1
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n/an/a 370n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against HIV-1 protease


Bioorg Med Chem Lett 12: 1763-6 (2002)


BindingDB Entry DOI: 10.7270/Q22R3S65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 440n/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))
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 |r,w:17.18,10.11|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Human immunodeficiency virus type 1 protease


(Human immunodeficiency virus type 1)
BDBM50061306
PNG
((3S,4aS,8aS)-2-[(2R,3R)-2-Hydroxy-3-(3-hydroxy-2-m...)
Show SMILES Cc1c(O)cccc1C(=O)N[C@@H](CSc1ccccc1)[C@H](O)CN1C[C@H]2CCCC[C@H]2C[C@H]1C(=O)NC(C)(C)C |r|
Show InChI InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39)/t22-,23+,26-,27-,29+/m0/s1
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n/an/a 530n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL




Bioorg Med Chem Lett 12: 1763-6 (2002)


BindingDB Entry DOI: 10.7270/Q22R3S65
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 540n/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
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 |r,w:17.18,10.11|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50336461
PNG
((S,E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,1...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 720n/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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 850n/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
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 |r,w:16.16,9.9|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50231670
PNG
((2R,3R,4R,5S)-1-(8-(3-(3H-1,2,3-triazol-4-yl)pheno...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCCCOc1cccc(c1)-c1c[nH]nn1 |r|
Show InChI InChI=1S/C22H34N4O5/c27-15-19-21(29)22(30)20(28)14-26(19)10-5-3-1-2-4-6-11-31-17-9-7-8-16(12-17)18-13-23-25-24-18/h7-9,12-13,19-22,27-30H,1-6,10-11,14-15H2,(H,23,24,25)/t19-,20+,21-,22-/m1/s1
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n/an/a 1.15E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336466
PNG
((3S,5R,E)-5-chloro-16-hydroxy-14-methoxy-3-methyl-...)
Show SMILES COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H23ClO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h4,6,9,11-12,14,22H,3,5,7-8,10H2,1-2H3/b6-4+/t12-,14+/m0/s1
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n/an/a 1.20E+3n/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
Vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 1.20E+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
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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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 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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50336461
PNG
((S,E)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,1...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:15.14|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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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
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 |r,w:16.16,9.9|
Show InChI InChI=1S/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/t13-/m0/s1
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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
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 |r,w:16.16,9.9|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336465
PNG
((3S,5R)-5-chloro-16-hydroxy-14-methoxy-3-methyl-3,...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C[C@H](Cl)C[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H25ClO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,14+/m0/s1
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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 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 3


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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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 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
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 |r,w:17.18,10.11|
Show InChI InChI=1S/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/t13-/m0/s1
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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 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 |r,w:17.18,10.11|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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n/an/a 1.67E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H22O7/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/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 1.90E+3n/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
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 |r,w:17.18,10.11|
Show InChI InChI=1S/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/t13-/m0/s1
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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
Platelet-derived growth factor receptor alpha


(Homo sapiens (Human))
BDBM50336458
PNG
((3S,5R)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3,4...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C[C@H](Br)C[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H25BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,14+/m0/s1
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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 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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336458
PNG
((3S,5R)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3,4...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C[C@H](Br)C[C@H](C)OC2=O)c1 |r|
Show InChI InChI=1S/C19H25BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,14+/m0/s1
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n/an/a 2.40E+3n/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
Alpha-glucosidase


(Bacillus stearothermophilus)
BDBM50231671
PNG
((2R,3R,4R,5S)-1-(6-(3-(3H-1,2,3-triazol-4-yl)pheno...)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCOc1cccc(c1)-c1c[nH]nn1 |r|
Show InChI InChI=1S/C20H30N4O5/c25-13-17-19(27)20(28)18(26)12-24(17)8-3-1-2-4-9-29-15-7-5-6-14(10-15)16-11-21-23-22-16/h5-7,10-11,17-20,25-28H,1-4,8-9,12-13H2,(H,21,22,23)/t17-,18+,19-,20-/m1/s1
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n/an/a 2.41E+3n/an/an/an/an/an/a



University College Dublin

Curated by ChEMBL


Assay Description
Inhibition of alpha glucosidase from bacillus sterothermophilus


Bioorg Med Chem Lett 18: 954-8 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.034
BindingDB Entry DOI: 10.7270/Q2NZ87C1
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50336462
PNG
((3S,5R,E)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3...)
Show SMILES COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H23BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h4,6,9,11-12,14,22H,3,5,7-8,10H2,1-2H3/b6-4+/t12-,14+/m0/s1
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n/an/a 2.50E+3n/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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50336462
PNG
((3S,5R,E)-5-bromo-16-hydroxy-14-methoxy-3-methyl-3...)
Show SMILES COc1cc(O)c2c(c1)\C=C\CCCC(=O)C[C@H](Br)C[C@H](C)OC2=O |r,t:10|
Show InChI InChI=1S/C19H23BrO5/c1-12-8-14(20)10-15(21)7-5-3-4-6-13-9-16(24-2)11-17(22)18(13)19(23)25-12/h4,6,9,11-12,14,22H,3,5,7-8,10H2,1-2H3/b6-4+/t12-,14+/m0/s1
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n/an/a 2.80E+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
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50335376
PNG
((S)-16-hydroxy-14-methoxy-3-methyl-3,4,9,10,11,12-...)
Show SMILES COc1cc(O)c2c(CCCCCC(=O)C=CC[C@H](C)OC2=O)c1 |r,w:16.16|
Show InChI InChI=1S/C19H24O5/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/h6,10-13,21H,3-5,7-9H2,1-2H3/t13-/m0/s1
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n/an/a 4.10E+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
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