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Compile Data Set for Download or QSAR

Found 30 hits with Last Name = 'kohlbacher' and Initial = 'o'   
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
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR3


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 450n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 540n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 680n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human PDGFR beta


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Focal adhesion kinase 1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 970n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human FAK


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human GSK3 beta


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 9


(Homo sapiens (Human))
BDBM50206421
PNG
(3-(4-fluorophenyl)-5-isopropyl-4-(pyridin-4-yl)iso...)
Show SMILES CC(C)c1onc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)17-15(12-7-9-19-10-8-12)16(20-21-17)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 1.28E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK2


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50206422
PNG
(3-(4-fluorophenyl)-4-(pyridin-4-yl)quinolin-2(1H)-...)
Show SMILES Fc1ccc(cc1)-c1c(-c2ccncc2)c2ccccc2[nH]c1=O
Show InChI InChI=1S/C20H13FN2O/c21-15-7-5-13(6-8-15)19-18(14-9-11-22-12-10-14)16-3-1-2-4-17(16)23-20(19)24/h1-12H,(H,23,24)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50232725
PNG
(1-ethyl-3-(4-fluorophenyl)-4-(pyridin-4-yl)quinoli...)
Show SMILES CCn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C22H17FN2O/c1-2-25-19-6-4-3-5-18(19)20(16-11-13-24-14-12-16)21(22(25)26)15-7-9-17(23)10-8-15/h3-14H,2H2,1H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50206423
PNG
(4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)pyr...)
Show SMILES CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)16-15(12-7-9-19-10-8-12)17(21-20-16)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 2.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human TIE2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50232724
PNG
(3-(4-fluorophenyl)-1-(prop-1-ynyl)-4-(pyridin-4-yl...)
Show SMILES CC#Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C23H15FN2O/c1-2-15-26-20-6-4-3-5-19(20)21(17-11-13-25-14-12-17)22(23(26)27)16-7-9-18(24)10-8-16/h3-14H,1H3
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n/an/a 3.10E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50206423
PNG
(4-(5-(4-fluorophenyl)-3-isopropylisoxazol-4-yl)pyr...)
Show SMILES CC(C)c1noc(c1-c1ccncc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H15FN2O/c1-11(2)16-15(12-7-9-19-10-8-12)17(21-20-16)13-3-5-14(18)6-4-13/h3-11H,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of JNK3


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50232726
PNG
(3-(4-fluorophenyl)-1-methyl-4-(pyridin-4-yl)quinol...)
Show SMILES Cn1c2ccccc2c(-c2ccncc2)c(-c2ccc(F)cc2)c1=O
Show InChI InChI=1S/C21H15FN2O/c1-24-18-5-3-2-4-17(18)19(15-10-12-23-13-11-15)20(21(24)25)14-6-8-16(22)9-7-14/h2-13H,1H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 8.20E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human CDK2 (with cyclin A)


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50232723
PNG
(4-(pyridin-4-yl)-3-o-tolylquinolin-2(1H)-one | CHE...)
Show SMILES Cc1ccccc1-c1c(-c2ccncc2)c2ccccc2[nH]c1=O |(1.24,-15.15,;-.1,-14.38,;-.1,-12.84,;-1.44,-12.08,;-2.78,-12.87,;-2.76,-14.4,;-1.43,-15.16,;-1.42,-16.7,;-2.74,-17.47,;-4.07,-16.7,;-5.41,-17.47,;-6.75,-16.7,;-6.74,-15.16,;-5.41,-14.38,;-4.08,-15.15,;-2.74,-19.01,;-4.06,-19.78,;-4.06,-21.31,;-2.72,-22.08,;-1.4,-21.31,;-1.41,-19.78,;-.07,-19.01,;-.08,-17.46,;1.25,-16.68,)|
Show InChI InChI=1S/C21H16N2O/c1-14-6-2-3-7-16(14)20-19(15-10-12-22-13-11-15)17-8-4-5-9-18(17)23-21(20)24/h2-13H,1H3,(H,23,24)
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n/an/a 9.70E+3n/an/an/an/an/an/a



Eberhard-Karls-University

Curated by ChEMBL


Assay Description
Inhibition of p38alpha


Bioorg Med Chem Lett 18: 1431-5 (2008)


Article DOI: 10.1016/j.bmcl.2007.12.073
BindingDB Entry DOI: 10.7270/Q208652M
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human CDK4 (with cyclin D1)


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human IGF1-R


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.90E+3n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora-A


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Ephrin type-B receptor 4 (EphB4)


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 1.60E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human EPHB4


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.00E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human SRC


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Ins-R


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 2.50E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human Aurora-B


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 3.20E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human EGFR


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human ERbB2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a 9.30E+4n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human ABL1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Nek2


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human NEK2


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human AKT1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM47167
PNG
(CHEMBL201511 | US8957103, Z1 | US9364459, A)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H18N2O5/c1-26-15-8-11(9-16(27-2)19(15)28-3)17-18(21(25)23-20(17)24)13-10-22-14-7-5-4-6-12(13)14/h4-10,22H,1-3H3,(H,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Eberhard Karls University

Curated by ChEMBL


Assay Description
Inhibition of human PLK1


J Med Chem 49: 7549-53 (2006)


Article DOI: 10.1021/jm0609871
BindingDB Entry DOI: 10.7270/Q2NZ8794
More data for this
Ligand-Target Pair