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Compile Data Set for Download or QSAR

Found 101 hits with Last Name = 'lorens' and Initial = 'jb'   
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
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343427
PNG
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)
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90n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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120n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
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150n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343430
PNG
(CHEMBL1775036 | N-(3-Chlorophenyl)-1-(2-chloro-2-p...)
Show SMILES ClC(Cn1ncc2c(Nc3cccc(Cl)c3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H26Cl2N6OS/c26-19-7-4-8-20(15-19)29-23-21-16-28-33(17-22(27)18-5-2-1-3-6-18)24(21)31-25(30-23)35-14-11-32-9-12-34-13-10-32/h1-8,15-16,22H,9-14,17H2,(H,29,30,31)
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190n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343431
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C25H27ClN6OS/c26-22(19-7-3-1-4-8-19)18-32-24-21(17-27-32)23(28-20-9-5-2-6-10-20)29-25(30-24)34-16-13-31-11-14-33-15-12-31/h1-10,17,22H,11-16,18H2,(H,28,29,30)
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210n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343421
PNG
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)
Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1
Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-
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220n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343429
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C27H31ClN6OS/c28-24(22-9-5-2-6-10-22)20-34-26-23(19-30-34)25(29-12-11-21-7-3-1-4-8-21)31-27(32-26)36-18-15-33-13-16-35-17-14-33/h1-10,19,24H,11-18,20H2,(H,29,31,32)
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270n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343426
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)
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340n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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400n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50343428
PNG
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)
Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)
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580n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343428
PNG
(1-(2-Chloro-2-phenylethyl)-N-(4-fluorobenzyl)-6-[(...)
Show SMILES Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3n(CC(Cl)c4ccccc4)ncc23)cc1
Show InChI InChI=1S/C26H28ClFN6OS/c27-23(20-4-2-1-3-5-20)18-34-25-22(17-30-34)24(29-16-19-6-8-21(28)9-7-19)31-26(32-25)36-15-12-33-10-13-35-14-11-33/h1-9,17,23H,10-16,18H2,(H,29,31,32)
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1.20E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343421
PNG
(2-({4-[(2-Phenylethyl)amino]-1-(2-phenylvinyl)-1H-...)
Show SMILES OCCNc1nc(NCCc2ccccc2)c2cnn(\C=C/c3ccccc3)c2n1
Show InChI InChI=1S/C23H24N6O/c30-16-14-25-23-27-21(24-13-11-18-7-3-1-4-8-18)20-17-26-29(22(20)28-23)15-12-19-9-5-2-6-10-19/h1-10,12,15,17,30H,11,13-14,16H2,(H2,24,25,27,28)/b15-12-
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2.40E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50183347
PNG
(2-(4-(phenethylamino)-1H-pyrazolo[3,4-d]pyrimidin-...)
Show SMILES OC(Cn1ncc2c(NCCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C21H21N5O/c27-19(17-9-5-2-6-10-17)14-26-21-18(13-25-26)20(23-15-24-21)22-12-11-16-7-3-1-4-8-16/h1-10,13,15,19,27H,11-12,14H2,(H,22,23,24)
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2.40E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343427
PNG
(CHEMBL1775039 | N-Benzyl-1-(2-chloro-2-phenylethyl...)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc12)c1ccccc1
Show InChI InChI=1S/C26H29ClN6OS/c27-23(21-9-5-2-6-10-21)19-33-25-22(18-29-33)24(28-17-20-7-3-1-4-8-20)30-26(31-25)35-16-13-32-11-14-34-15-12-32/h1-10,18,23H,11-17,19H2,(H,28,30,31)
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2.90E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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3.00E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50343426
PNG
(1-(2-Chloro-2-phenylethyl)-6-[(2-morpholin-4-yleth...)
Show SMILES CCCNc1nc(SCCN2CCOCC2)nc2n(CC(Cl)c3ccccc3)ncc12
Show InChI InChI=1S/C22H29ClN6OS/c1-2-8-24-20-18-15-25-29(16-19(23)17-6-4-3-5-7-17)21(18)27-22(26-20)31-14-11-28-9-12-30-13-10-28/h3-7,15,19H,2,8-14,16H2,1H3,(H,24,26,27)
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3.80E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of c-Src


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50390208
PNG
(CHEMBL203493)
Show SMILES C(Cc1ccccc1)Nc1ncnc2n(\C=C/c3ccccc3)ncc12
Show InChI InChI=1S/C21H19N5/c1-3-7-17(8-4-1)11-13-22-20-19-15-25-26(21(19)24-16-23-20)14-12-18-9-5-2-6-10-18/h1-10,12,14-16H,11,13H2,(H,22,23,24)/b14-12-
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9.75E+3n/an/an/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of Abl


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
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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PubMed
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
Receptor-type tyrosine-protein kinase 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
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
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
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
Receptor-type tyrosine-protein kinase 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
Receptor-type tyrosine-protein kinase 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
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
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
Receptor-type tyrosine-protein kinase 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
Receptor-type tyrosine-protein kinase 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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50354486
PNG
(CHEMBL411043)
Show SMILES ClC(Cn1ncc2c(NCc3ccccc3)ncnc12)c1ccccc1
Show InChI InChI=1S/C20H18ClN5/c21-18(16-9-5-2-6-10-16)13-26-20-17(12-25-26)19(23-14-24-20)22-11-15-7-3-1-4-8-15/h1-10,12,14,18H,11,13H2,(H,22,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Siena

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 expressed in porcine aortic endothelial cells


Bioorg Med Chem Lett 22: 5579-83 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.014
BindingDB Entry DOI: 10.7270/Q29P32P7
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
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
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
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
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
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
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
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
Glycogen synthase kinase-3 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 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
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