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Compile Data Set for Download or QSAR

Found 172 hits with Last Name = 'selig' and Initial = 'r'   
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 recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398456
PNG
(CHEMBL2179119)
Show SMILES Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C28H19FN4O/c29-20-10-6-18(7-11-20)25-26(33-27(32-25)19-8-12-21(34)13-9-19)22-14-15-30-28-23(22)16-24(31-28)17-4-2-1-3-5-17/h1-16,34H,(H,30,31)(H,32,33)
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n/an/a 3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
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 recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398458
PNG
(CHEMBL2179117)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H21FN4OS/c1-36(35)22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
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n/an/a 8n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398457
PNG
(CHEMBL2179118)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H21FN4O2S/c1-37(35,36)22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
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n/an/a 11n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398464
PNG
(CHEMBL2179115)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(cc12)C1CCCCC1)-c1ccccc1
Show InChI InChI=1S/C28H25FN4/c29-21-13-11-19(12-14-21)25-26(33-27(32-25)20-9-5-2-6-10-20)22-15-16-30-28-23(22)17-24(31-28)18-7-3-1-4-8-18/h2,5-6,9-18H,1,3-4,7-8H2,(H,30,31)(H,32,33)
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n/an/a 15n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398466
PNG
(CHEMBL2179128)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(cc12)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C28H19FN4/c29-21-13-11-19(12-14-21)25-26(33-27(32-25)20-9-5-2-6-10-20)22-15-16-30-28-23(22)17-24(31-28)18-7-3-1-4-8-18/h1-17H,(H,30,31)(H,32,33)
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n/an/a 16n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
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))
BDBM50243761
PNG
(4-(1H-Indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
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n/an/a 31n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243761
PNG
(4-(1H-Indol-3-yl)-3-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)19-15(11-23-21(19)24)14-10-22-16-7-5-4-6-13(14)16/h4-10,22H,11H2,1-3H3,(H,23,24)
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n/an/a 37n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398459
PNG
(CHEMBL2179116)
Show SMILES CSc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H21FN4S/c1-35-22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
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n/an/a 39n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398460
PNG
(CHEMBL2179121)
Show SMILES COc1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C29H21FN4O/c1-35-22-13-9-20(10-14-22)28-33-26(19-7-11-21(30)12-8-19)27(34-28)23-15-16-31-29-24(23)17-25(32-29)18-5-3-2-4-6-18/h2-17H,1H3,(H,31,32)(H,33,34)
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n/an/a 70n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398468
PNG
(CHEMBL2179124)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]ccc12)-c1ccccc1
Show InChI InChI=1S/C22H15FN4/c23-16-8-6-14(7-9-16)19-20(17-10-12-24-22-18(17)11-13-25-22)27-21(26-19)15-4-2-1-3-5-15/h1-13H,(H,24,25)(H,26,27)
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n/an/a 108n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398467
PNG
(CHEMBL2179127)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c3ccccc3c12)-c1ccccc1
Show InChI InChI=1S/C26H17FN4/c27-18-12-10-16(11-13-18)23-24(31-25(30-23)17-6-2-1-3-7-17)20-14-15-28-26-22(20)19-8-4-5-9-21(19)29-26/h1-15H,(H,28,29)(H,30,31)
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n/an/a 153n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50104356
PNG
(4-[5-(4-Fluoro-phenyl)-2-phenyl-3H-imidazol-4-yl]-...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccncc1)-c1ccccc1
Show InChI InChI=1S/C20H14FN3/c21-17-8-6-14(7-9-17)18-19(15-10-12-22-13-11-15)24-20(23-18)16-4-2-1-3-5-16/h1-13H,(H,23,24)
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n/an/a 154n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Tyrosine-protein kinase receptor FLT3


(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 270n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398461
PNG
(CHEMBL2179120)
Show SMILES COc1cc(cc(OC)c1OC)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccnc2[nH]c(cc12)-c1ccccc1
Show InChI InChI=1S/C31H25FN4O3/c1-37-25-15-20(16-26(38-2)29(25)39-3)30-35-27(19-9-11-21(32)12-10-19)28(36-30)22-13-14-33-31-23(22)17-24(34-31)18-7-5-4-6-8-18/h4-17H,1-3H3,(H,33,34)(H,35,36)
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n/an/a 290n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398465
PNG
(CHEMBL2179129)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ccnc2[nH]c(Cc3ccccc3)cc12)-c1ccccc1
Show InChI InChI=1S/C29H21FN4/c30-22-13-11-20(12-14-22)26-27(34-28(33-26)21-9-5-2-6-10-21)24-15-16-31-29-25(24)18-23(32-29)17-19-7-3-1-4-8-19/h1-16,18H,17H2,(H,31,32)(H,33,34)
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n/an/a 345n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398462
PNG
(CHEMBL2179126)
Show SMILES COCn1c(nc(c1-c1ccnc2[nH]ccc12)-c1ccc(F)cc1)-c1ccccc1 |(18.71,-20.69,;19.2,-19.23,;20.71,-18.93,;21.2,-17.47,;20.31,-16.21,;21.23,-14.97,;22.69,-15.46,;22.67,-17.01,;24,-17.77,;25.33,-17,;26.67,-17.76,;26.67,-19.31,;25.34,-20.08,;25.02,-21.59,;23.49,-21.75,;22.86,-20.34,;24,-19.31,;24,-14.66,;25.35,-15.39,;26.66,-14.59,;26.62,-13.05,;27.93,-12.24,;25.26,-12.31,;23.95,-13.12,;18.78,-16.2,;18.02,-14.85,;16.48,-14.84,;15.7,-16.16,;16.46,-17.51,;18,-17.52,)|
Show InChI InChI=1S/C24H19FN4O/c1-30-15-29-22(19-11-13-26-23-20(19)12-14-27-23)21(16-7-9-18(25)10-8-16)28-24(29)17-5-3-2-4-6-17/h2-14H,15H2,1H3,(H,26,27)
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n/an/a 451n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
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 650n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FAK


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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 recombinant PDGFRbeta


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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 740n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398470
PNG
(CHEMBL2179122)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ncnc2nc[nH]c12)-c1ccccc1
Show InChI InChI=1S/C20H13FN6/c21-14-8-6-12(7-9-14)15-17(16-18-20(24-10-22-16)25-11-23-18)27-19(26-15)13-4-2-1-3-5-13/h1-11H,(H,26,27)(H,22,23,24,25)
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n/an/a 740n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK4


(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 990n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SAK


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243931
PNG
(4-[1-(Phenoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C28H26N2O5/c1-32-24-13-18(14-25(33-2)27(24)34-3)26-21(15-29-28(26)31)22-16-30(23-12-8-7-11-20(22)23)17-35-19-9-5-4-6-10-19/h4-14,16H,15,17H2,1-3H3,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243931
PNG
(4-[1-(Phenoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C28H26N2O5/c1-32-24-13-18(14-25(33-2)27(24)34-3)26-21(15-29-28(26)31)22-16-30(23-12-8-7-11-20(22)23)17-35-19-9-5-4-6-10-19/h4-14,16H,15,17H2,1-3H3,(H,29,31)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TIE2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243977
PNG
(4-{1-[(Benzyloxy)methyl]-1H-indol-3-yl}-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C29H28N2O5/c1-33-25-13-20(14-26(34-2)28(25)35-3)27-22(15-30-29(27)32)23-16-31(24-12-8-7-11-21(23)24)18-36-17-19-9-5-4-6-10-19/h4-14,16H,15,17-18H2,1-3H3,(H,30,32)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50243878
PNG
(3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)14-10-23-21(24)19(14)15-11-22-16-7-5-4-6-13(15)16/h4-9,11,22H,10H2,1-3H3,(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 human recombinant ARK5


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50244031
PNG
(3-(1H-Indol-3-yl)-4-(4-methoxyphenyl)-1,5-dihydro-...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:9|
Show InChI InChI=1S/C19H16N2O2/c1-23-13-8-6-12(7-9-13)15-10-21-19(22)18(15)16-11-20-17-5-3-2-4-14(16)17/h2-9,11,20H,10H2,1H3,(H,21,22)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50243878
PNG
(3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)14-10-23-21(24)19(14)15-11-22-16-7-5-4-6-13(15)16/h4-9,11,22H,10H2,1-3H3,(H,23,24)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora B


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50243878
PNG
(3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)14-10-23-21(24)19(14)15-11-22-16-7-5-4-6-13(15)16/h4-9,11,22H,10H2,1-3H3,(H,23,24)
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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 human recombinant FLT3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243881
PNG
(4-[1-(Methoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:6|
Show InChI InChI=1S/C23H24N2O5/c1-27-13-25-12-17(15-7-5-6-8-18(15)25)16-11-24-23(26)21(16)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-10,12H,11,13H2,1-4H3,(H,24,26)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243979
PNG
(4-[1-(2,3-Dihydroxypropyl)-1H-indol-3-yl]-3-(3,4,5...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H26N2O6/c1-30-20-8-14(9-21(31-2)23(20)32-3)22-17(10-25-24(22)29)18-12-26(11-15(28)13-27)19-7-5-4-6-16(18)19/h4-9,12,15,27-28H,10-11,13H2,1-3H3,(H,25,29)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243931
PNG
(4-[1-(Phenoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COc2ccccc2)c2ccccc12 |t:13|
Show InChI InChI=1S/C28H26N2O5/c1-32-24-13-18(14-25(33-2)27(24)34-3)26-21(15-29-28(26)31)22-16-30(23-12-8-7-11-20(22)23)17-35-19-9-5-4-6-10-19/h4-14,16H,15,17H2,1-3H3,(H,29,31)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398469
PNG
(CHEMBL2179123)
Show SMILES Fc1ccc(cc1)-c1[nH]c(nc1-c1ncnc2[nH]ccc12)-c1ccccc1
Show InChI InChI=1S/C21H14FN5/c22-15-8-6-13(7-9-15)17-19(18-16-10-11-23-21(16)25-12-24-18)27-20(26-17)14-4-2-1-3-5-14/h1-12H,(H,26,27)(H,23,24,25)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50398463
PNG
(CHEMBL2179125)
Show SMILES COCn1c(nc(c1-c1ncnc2nc[nH]c12)-c1ccc(F)cc1)-c1ccccc1 |(5.34,-21.61,;5.83,-20.15,;7.34,-19.84,;7.83,-18.38,;6.95,-17.13,;7.86,-15.89,;9.32,-16.38,;9.3,-17.92,;10.64,-18.69,;11.96,-17.92,;13.3,-18.68,;13.31,-20.22,;11.97,-21,;11.65,-22.51,;10.12,-22.67,;9.49,-21.26,;10.64,-20.23,;10.63,-15.57,;11.98,-16.31,;13.3,-15.5,;13.25,-13.96,;14.56,-13.15,;11.89,-13.23,;10.58,-14.04,;5.41,-17.12,;4.66,-15.77,;3.12,-15.75,;2.33,-17.08,;3.1,-18.43,;4.63,-18.44,)|
Show InChI InChI=1S/C22H17FN6O/c1-30-13-29-20(18-19-21(26-11-24-18)27-12-25-19)17(14-7-9-16(23)10-8-14)28-22(29)15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,24,25,26,27)
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n/an/a 2.99E+3n/an/an/an/an/an/a



University of Tuebingen

Curated by ChEMBL


Assay Description
Inhibition of p38alpha MAPK


J Med Chem 55: 8429-39 (2012)


Article DOI: 10.1021/jm300852w
BindingDB Entry DOI: 10.7270/Q2765GGT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50243979
PNG
(4-[1-(2,3-Dihydroxypropyl)-1H-indol-3-yl]-3-(3,4,5...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H26N2O6/c1-30-20-8-14(9-21(31-2)23(20)32-3)22-17(10-25-24(22)29)18-12-26(11-15(28)13-27)19-7-5-4-6-16(18)19/h4-9,12,15,27-28H,10-11,13H2,1-3H3,(H,25,29)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FLT3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243880
PNG
(3-(3,4,5-Trimethoxyphenyl)-4-(1-{[2-(trimethylsily...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCC[Si](C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H34N2O5Si/c1-31-23-13-18(14-24(32-2)26(23)33-3)25-20(15-28-27(25)30)21-16-29(17-34-11-12-35(4,5)6)22-10-8-7-9-19(21)22/h7-10,13-14,16H,11-12,15,17H2,1-6H3,(H,28,30)
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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 human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50243878
PNG
(3-(1H-Indol-3-yl)-4-(3,4,5-trimethoxyphenyl)-1,5-d...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O4/c1-25-17-8-12(9-18(26-2)20(17)27-3)14-10-23-21(24)19(14)15-11-22-16-7-5-4-6-13(15)16/h4-9,11,22H,10H2,1-3H3,(H,23,24)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243978
PNG
(4-{1-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-1H-i...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC2COC(C)(C)O2)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H30N2O6/c1-27(2)34-15-17(35-27)13-29-14-20(18-8-6-7-9-21(18)29)19-12-28-26(30)24(19)16-10-22(31-3)25(33-5)23(11-16)32-4/h6-11,14,17H,12-13,15H2,1-5H3,(H,28,30)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50243980
PNG
(3-(N-Methyl-1H-indol-3-yl)-4-(3,4,5-trimethoxyphen...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:13|
Show InChI InChI=1S/C22H22N2O4/c1-24-12-16(14-7-5-6-8-17(14)24)20-15(11-23-22(20)25)13-9-18(26-2)21(28-4)19(10-13)27-3/h5-10,12H,11H2,1-4H3,(H,23,25)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora A


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243881
PNG
(4-[1-(Methoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trime...)
Show SMILES COCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:6|
Show InChI InChI=1S/C23H24N2O5/c1-27-13-25-12-17(15-7-5-6-8-18(15)25)16-11-24-23(26)21(16)14-9-19(28-2)22(30-4)20(10-14)29-3/h5-10,12H,11,13H2,1-4H3,(H,24,26)
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n/an/a 3.20E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243879
PNG
(5-Hydroxy-4-(1H-indol-3-yl)-3-(3,4,5-trimethoxyphe...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(C(O)NC1=O)c1c[nH]c2ccccc12 |t:13|
Show InChI InChI=1S/C21H20N2O5/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/h4-10,21-22,25H,1-3H3,(H,23,24)
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n/an/a 3.40E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243928
PNG
(4-[1-(Ethoxymethyl)-1H-indol-3-yl]-3-(3,4,5-trimet...)
Show SMILES CCOCn1cc(C2=C(C(=O)NC2)c2cc(OC)c(OC)c(OC)c2)c2ccccc12 |t:7|
Show InChI InChI=1S/C24H26N2O5/c1-5-31-14-26-13-18(16-8-6-7-9-19(16)26)17-12-25-24(27)22(17)15-10-20(28-2)23(30-4)21(11-15)29-3/h6-11,13H,5,12,14H2,1-4H3,(H,25,27)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
NUAK family SNF1-like kinase 1


(Homo sapiens (Human))
BDBM50244032
PNG
(3-(N-Methyl-1H-indol-3-yl)-4-(4-methoxyphenyl)-1,5...)
Show SMILES COc1ccc(cc1)C1=C(C(=O)NC1)c1cn(C)c2ccccc12 |t:9|
Show InChI InChI=1S/C20H18N2O2/c1-22-12-17(15-5-3-4-6-18(15)22)19-16(11-21-20(19)23)13-7-9-14(24-2)10-8-13/h3-10,12H,11H2,1-2H3,(H,21,23)
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n/an/a 3.60E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ARK5


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243979
PNG
(4-[1-(2,3-Dihydroxypropyl)-1H-indol-3-yl]-3-(3,4,5...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(CC(O)CO)c2ccccc12 |t:13|
Show InChI InChI=1S/C24H26N2O6/c1-30-20-8-14(9-21(31-2)23(20)32-3)22-17(10-25-24(22)29)18-12-26(11-15(28)13-27)19-7-5-4-6-16(18)19/h4-9,12,15,27-28H,10-11,13H2,1-3H3,(H,25,29)
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n/an/a 4.20E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50243930
PNG
(4-[1-(tert-Butoxymethyl)-1H-indol-3-yl]-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C26H30N2O5/c1-26(2,3)33-15-28-14-19(17-9-7-8-10-20(17)28)18-13-27-25(29)23(18)16-11-21(30-4)24(32-6)22(12-16)31-5/h7-12,14H,13,15H2,1-6H3,(H,27,29)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
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))
BDBM50243930
PNG
(4-[1-(tert-Butoxymethyl)-1H-indol-3-yl]-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C26H30N2O5/c1-26(2,3)33-15-28-14-19(17-9-7-8-10-20(17)28)18-13-27-25(29)23(18)16-11-21(30-4)24(32-6)22(12-16)31-5/h7-12,14H,13,15H2,1-6H3,(H,27,29)
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n/an/a 4.40E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR2


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50243880
PNG
(3-(3,4,5-Trimethoxyphenyl)-4-(1-{[2-(trimethylsily...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COCC[Si](C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C27H34N2O5Si/c1-31-23-13-18(14-24(32-2)26(23)33-3)25-20(15-28-27(25)30)21-16-29(17-34-11-12-35(4,5)6)22-10-8-7-9-19(21)22/h7-10,13-14,16H,11-12,15,17H2,1-6H3,(H,28,30)
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n/an/a 4.50E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant SRC


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50243930
PNG
(4-[1-(tert-Butoxymethyl)-1H-indol-3-yl]-3-(3,4,5-t...)
Show SMILES COc1cc(cc(OC)c1OC)C1=C(CNC1=O)c1cn(COC(C)(C)C)c2ccccc12 |t:13|
Show InChI InChI=1S/C26H30N2O5/c1-26(2,3)33-15-28-14-19(17-9-7-8-10-20(17)28)18-13-27-25(29)23(18)16-11-21(30-4)24(32-6)22(12-16)31-5/h7-12,14H,13,15H2,1-6H3,(H,27,29)
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n/an/a 4.80E+3n/an/an/an/an/an/a



Eberhard-Karls University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant VEGFR3


J Med Chem 51: 3814-24 (2008)


Article DOI: 10.1021/jm8001185
BindingDB Entry DOI: 10.7270/Q2057FQS
More data for this
Ligand-Target Pair
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