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Compile Data Set for Download or QSAR

Found 459 hits with Last Name = 'lee' and Initial = 'gs'   
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
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Ret


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a<0.100n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Her4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331095
PNG
(CHEMBL1289494 | Tivozanib)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)Nc4cc(C)on4)c(Cl)c3)c2cc1OC
Show InChI InChI=1S/C22H19ClN4O5/c1-12-8-21(27-32-12)26-22(28)25-16-5-4-13(9-15(16)23)31-18-6-7-24-17-11-20(30-3)19(29-2)10-14(17)18/h4-11H,1-3H3,(H2,25,26,27,28)
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n/an/a 0.160n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
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))
BDBM25117
PNG
(AG-013736 | AXITINIB | N-methyl-2-({3-[(E)-2-(pyri...)
Show SMILES CNC(=O)c1ccccc1Sc1ccc2c(\C=C\c3ccccn3)n[nH]c2c1
Show InChI InChI=1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Lck


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331091
PNG
(AG-028262 | CHEMBL1289925 | N-methyl-6-(2-(1-methy...)
Show SMILES CNC(=O)c1csc2cc(Oc3ccnc4cc(sc34)C3=NCCN3C)ccc12 |t:22|
Show InChI InChI=1S/C21H18N4O2S2/c1-22-21(26)14-11-28-17-9-12(3-4-13(14)17)27-16-5-6-23-15-10-18(29-19(15)16)20-24-7-8-25(20)2/h3-6,9-11H,7-8H2,1-2H3,(H,22,26)
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Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Abl1


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM13216
PNG
(BMS-354825 | CHEMBL1421 | DASATINIB | N-(2-Chloro-...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)N1CCN(CCO)CC1
Show InChI InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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n/an/a 0.600n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Src kinase (unknown origin)


Bioorg Med Chem 17: 3152-61 (2009)


Article DOI: 10.1016/j.bmc.2009.02.054
BindingDB Entry DOI: 10.7270/Q2V9880T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Ret


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Src


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 1.20n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Src kinase (unknown origin)


Bioorg Med Chem 17: 3152-61 (2009)


Article DOI: 10.1016/j.bmc.2009.02.054
BindingDB Entry DOI: 10.7270/Q2V9880T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331090
PNG
(4-((5H-[1,2,4]triazino[5,6-b]indol-3-ylthio)methyl...)
Show SMILES COc1ccccc1NC(=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc32)cc1
Show InChI InChI=1S/C24H19N5O2S/c1-31-20-9-5-4-8-19(20)26-23(30)16-12-10-15(11-13-16)14-32-24-27-22-21(28-29-24)17-6-2-3-7-18(17)25-22/h2-13H,14H2,1H3,(H,26,30)(H,25,27,29)
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n/an/a 1.60n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133696
PNG
(US8846699, 12)
Show SMILES CN(C)CC(=O)NCCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C24H26BrFN6O3/c1-4-22(33)30-20-11-16-19(12-21(20)35-9-5-8-27-23(34)13-32(2)3)28-14-29-24(16)31-18-7-6-15(25)10-17(18)26/h4,6-7,10-12,14H,1,5,8-9,13H2,2-3H3,(H,27,34)(H,30,33)(H,28,29,31)
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n/an/a 2n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133707
PNG
(US8846699, 23)
Show SMILES CCNC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H22BrFN6O3/c1-3-20(31)29-18-10-14-17(11-19(18)33-8-7-26-22(32)25-4-2)27-12-28-21(14)30-16-6-5-13(23)9-15(16)24/h3,5-6,9-12H,1,4,7-8H2,2H3,(H,29,31)(H2,25,26,32)(H,27,28,30)
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n/an/a 2n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133709
PNG
(US8846699, 25)
Show SMILES CN(C)CC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C23H24BrFN6O3/c1-4-21(32)29-19-10-15-18(11-20(19)34-8-7-26-22(33)12-31(2)3)27-13-28-23(15)30-17-6-5-14(24)9-16(17)25/h4-6,9-11,13H,1,7-8,12H2,2-3H3,(H,26,33)(H,29,32)(H,27,28,30)
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n/an/a 2n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133702
PNG
(US8846699, 18)
Show SMILES CC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C21H19BrFN5O3/c1-3-20(30)27-18-9-14-17(10-19(18)31-7-6-24-12(2)29)25-11-26-21(14)28-16-5-4-13(22)8-15(16)23/h3-5,8-11H,1,6-7H2,2H3,(H,24,29)(H,27,30)(H,25,26,28)
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n/an/a 2n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331083
PNG
(CHEMBL1290362 | ethyl 2-(3-methyl-7-(3-methylbenzy...)
Show SMILES CCOC(=O)CSc1nc2n(C)c(=O)[nH]c(=O)c2n1Cc1cccc(C)c1
Show InChI InChI=1S/C18H20N4O4S/c1-4-26-13(23)10-27-18-19-15-14(16(24)20-17(25)21(15)3)22(18)9-12-7-5-6-11(2)8-12/h5-8H,4,9-10H2,1-3H3,(H,20,24,25)
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n/an/a 2.90n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM12255
PNG
(AZD0530 | CHEMBL217092 | Compound 33 | N-(5-chloro...)
Show SMILES CN1CCN(CCOc2cc(OC3CCOCC3)c3c(Nc4c5OCOc5ccc4Cl)ncnc3c2)CC1
Show InChI InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)
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n/an/a 3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Src kinase (unknown origin)


Bioorg Med Chem 17: 3152-61 (2009)


Article DOI: 10.1016/j.bmc.2009.02.054
BindingDB Entry DOI: 10.7270/Q2V9880T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133701
PNG
(US8846699, 17)
Show SMILES CNCCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C21H21BrFN5O2/c1-3-20(29)27-18-10-14-17(11-19(18)30-8-4-7-24-2)25-12-26-21(14)28-16-6-5-13(22)9-15(16)23/h3,5-6,9-12,24H,1,4,7-8H2,2H3,(H,27,29)(H,25,26,28)
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n/an/a 3n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
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))
BDBM24773
PNG
(AMG 706 | AMG-706 | Motesanib | N-(3,3-dimethyl-1,...)
Show SMILES CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc12
Show InChI InChI=1S/C22H23N5O/c1-22(2)14-26-19-12-16(5-6-18(19)22)27-21(28)17-4-3-9-24-20(17)25-13-15-7-10-23-11-8-15/h3-12,26H,13-14H2,1-2H3,(H,24,25)(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133711
PNG
(US8846699, 27 | US8846699, 55)
Show SMILES CC(=O)CNCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H21BrFN5O3/c1-3-21(31)28-19-9-15-18(10-20(19)32-7-6-25-11-13(2)30)26-12-27-22(15)29-17-5-4-14(23)8-16(17)24/h3-5,8-10,12,25H,1,6-7,11H2,2H3,(H,28,31)(H,26,27,29)
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n/an/a 3n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133685
PNG
(US8846699, 1)
Show SMILES CC(=O)N1CCC(COc2cc3ncnc(Nc4ccc(Br)cc4F)c3cc2NC(=O)C=C)CC1
Show InChI InChI=1S/C25H25BrFN5O3/c1-3-24(34)30-22-11-18-21(12-23(22)35-13-16-6-8-32(9-7-16)15(2)33)28-14-29-25(18)31-20-5-4-17(26)10-19(20)27/h3-5,10-12,14,16H,1,6-9,13H2,2H3,(H,30,34)(H,28,29,31)
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n/an/a 3n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133689
PNG
(US8846699, 5)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2cc(OCC3CCN(CC3)C(=O)C=C)c(NC(=O)C=C)cc12
Show InChI InChI=1S/C26H25BrFN5O3/c1-3-24(34)31-22-12-18-21(29-15-30-26(18)32-20-6-5-17(27)11-19(20)28)13-23(22)36-14-16-7-9-33(10-8-16)25(35)4-2/h3-6,11-13,15-16H,1-2,7-10,14H2,(H,31,34)(H,29,30,32)
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n/an/a 3n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50384888
PNG
(CHEMBL2035810)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
Show InChI InChI=1S/C23H20ClN7O3/c1-2-19(32)27-10-16-12-34-23(31-16)20-21(25)28-13-29-22(20)30-14-6-7-18(17(24)9-14)33-11-15-5-3-4-8-26-15/h2-9,12-13H,1,10-11H2,(H,27,32)(H3,25,28,29,30)
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n/an/a 3.30n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of wild-type EGFR preincubated for 10 mins followed by incubation for 30 mins by fluorescence polarization assay


J Med Chem 55: 2846-57 (2012)


Article DOI: 10.1021/jm201758g
BindingDB Entry DOI: 10.7270/Q23T9J8F
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))
BDBM50331089
PNG
((S)-3-chloro-N-(4-(2-methyl-3-oxo-3,4-dihydro-2H-b...)
Show SMILES C[C@@H]1Oc2ccc(cc2NC1=O)-c1csc(NC(=O)c2cccc(Cl)c2)n1 |r|
Show InChI InChI=1S/C19H14ClN3O3S/c1-10-17(24)21-14-8-11(5-6-16(14)26-10)15-9-27-19(22-15)23-18(25)12-3-2-4-13(20)7-12/h2-10H,1H3,(H,21,24)(H,22,23,25)/t10-/m0/s1
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n/an/a 3.40n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
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))
BDBM50331096
PNG
(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-6-methoxy-7...)
Show SMILES COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCCCN1CCCC1
Show InChI InChI=1S/C25H27FN4O3/c1-16-12-17-19(29-16)6-7-21(24(17)26)33-25-18-13-22(31-2)23(14-20(18)27-15-28-25)32-11-5-10-30-8-3-4-9-30/h6-7,12-15,29H,3-5,8-11H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133708
PNG
(US8846699, 24)
Show SMILES NC(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C20H18BrFN6O3/c1-2-18(29)27-16-8-12-15(9-17(16)31-6-5-24-20(23)30)25-10-26-19(12)28-14-4-3-11(21)7-13(14)22/h2-4,7-10H,1,5-6H2,(H,27,29)(H3,23,24,30)(H,25,26,28)
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n/an/a 4n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133697
PNG
(US8846699, 13)
Show SMILES CC(=O)NCCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H21BrFN5O3/c1-3-21(31)28-19-10-15-18(11-20(19)32-8-4-7-25-13(2)30)26-12-27-22(15)29-17-6-5-14(23)9-16(17)24/h3,5-6,9-12H,1,4,7-8H2,2H3,(H,25,30)(H,28,31)(H,26,27,29)
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n/an/a 4n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133819
PNG
(US8846699, 137)
Show SMILES CC(=O)CNCCOc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C22H20Cl2FN5O3/c1-3-21(32)29-19-6-13-17(9-20(19)33-5-4-26-10-12(2)31)27-11-28-22(13)30-18-8-15(24)14(23)7-16(18)25/h3,6-9,11,26H,1,4-5,10H2,2H3,(H,29,32)(H,27,28,30)
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n/an/a 4n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50384888
PNG
(CHEMBL2035810)
Show SMILES Nc1ncnc(Nc2ccc(OCc3ccccn3)c(Cl)c2)c1-c1nc(CNC(=O)C=C)co1
Show InChI InChI=1S/C23H20ClN7O3/c1-2-19(32)27-10-16-12-34-23(31-16)20-21(25)28-13-29-22(20)30-14-6-7-18(17(24)9-14)33-11-15-5-3-4-8-26-15/h2-9,12-13H,1,10-11H2,(H,27,32)(H3,25,28,29,30)
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n/an/a 4n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of HER4 preincubated for 10 mins followed by incubation for 30 mins by fluorescence polarization assay


J Med Chem 55: 2846-57 (2012)


Article DOI: 10.1021/jm201758g
BindingDB Entry DOI: 10.7270/Q23T9J8F
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))
BDBM5413
PNG
(1-(2-{4-[3-(thiophen-3-yl)pyrazolo[1,5-a]pyrimidin...)
Show SMILES C(CN1CCCCC1)Oc1ccc(cc1)-c1cnc2c(cnn2c1)-c1ccsc1
Show InChI InChI=1S/C23H24N4OS/c1-2-9-26(10-3-1)11-12-28-21-6-4-18(5-7-21)20-14-24-23-22(15-25-27(23)16-20)19-8-13-29-17-19/h4-8,13-17H,1-3,9-12H2
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n/an/a 4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
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))
BDBM50331094
PNG
(4-(3-chloro-4-(3-cyclopropylureido)phenoxy)-7-meth...)
Show SMILES COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(N)=O
Show InChI InChI=1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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n/an/a 4n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133713
PNG
(US8846699, 29)
Show SMILES NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C19H17BrFN5O2/c1-2-18(27)25-16-8-12-15(9-17(16)28-6-5-22)23-10-24-19(12)26-14-4-3-11(20)7-13(14)21/h2-4,7-10H,1,5-6,22H2,(H,25,27)(H,23,24,26)
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n/an/a 4n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
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))
BDBM50331088
PNG
(CHEMBL1290031)
Show SMILES O=C(Nc1ccc(Oc2ncnc3sc4CCCCc4c23)cc1)c1ccccc1
Show InChI InChI=1S/C23H19N3O2S/c27-21(15-6-2-1-3-7-15)26-16-10-12-17(13-11-16)28-22-20-18-8-4-5-9-19(18)29-23(20)25-14-24-22/h1-3,6-7,10-14H,4-5,8-9H2,(H,26,27)
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n/an/a 4.10n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
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))
BDBM50331087
PNG
(CHEMBL1290137 | N3,N5-bis(4-ethoxyphenyl)-1,2,4-tr...)
Show SMILES CCOc1ccc(Nc2cnnc(Nc3ccc(OCC)cc3)n2)cc1
Show InChI InChI=1S/C19H21N5O2/c1-3-25-16-9-5-14(6-10-16)21-18-13-20-24-19(23-18)22-15-7-11-17(12-8-15)26-4-2/h5-13H,3-4H2,1-2H3,(H2,21,22,23,24)
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n/an/a 4.10n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50300026
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2-fluorophenylamino)...)
Show SMILES COCCOc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H25ClFN5O4/c1-3-22(33)32-9-5-8-20(32)25(34)31-19-12-15-18(13-21(19)36-11-10-35-2)28-14-29-24(15)30-17-7-4-6-16(26)23(17)27/h3-4,6-7,12-14,20H,1,5,8-11H2,2H3,(H,31,34)(H,28,29,30)/t20-/m0/s1
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n/an/a 4.10n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of FGFR2


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331081
PNG
(2-(2-(3-(3-chlorophenyl)ureido)thiazol-4-yl)-N-(6-...)
Show SMILES Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)Nc4cccc(Cl)c4)n3)sc2c1
Show InChI InChI=1S/C20H16ClN5O2S2/c1-11-5-6-15-16(7-11)30-20(24-15)25-17(27)9-14-10-29-19(23-14)26-18(28)22-13-4-2-3-12(21)8-13/h2-8,10H,9H2,1H3,(H,24,25,27)(H2,22,23,26,28)
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n/an/a 4.20n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50300027
PNG
((S)-1-Acryloyl-N-[4-(3-chloro-2,4-difluorophenylam...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3F)c2cc1NC(=O)[C@@H]1CCCN1C(=O)C=C |r|
Show InChI InChI=1S/C25H24ClF2N5O4/c1-3-21(34)33-8-4-5-19(33)25(35)32-18-11-14-17(12-20(18)37-10-9-36-2)29-13-30-24(14)31-16-7-6-15(27)22(26)23(16)28/h3,6-7,11-13,19H,1,4-5,8-10H2,2H3,(H,32,35)(H,29,30,31)/t19-/m0/s1
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n/an/a 4.5n/an/an/an/an/an/a



Hanmi Research Center

Curated by ChEMBL


Assay Description
Inhibition of Flt4


J Med Chem 52: 6880-8 (2009)


Article DOI: 10.1021/jm901146p
BindingDB Entry DOI: 10.7270/Q28W3DDJ
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))
BDBM50331085
PNG
(CHEMBL1290247 | N-(3-(2-(4-bromophenylamino)-2-oxo...)
Show SMILES Brc1ccc(NC(=O)COc2cccc(NC(=O)c3cccnc3)c2)cc1
Show InChI InChI=1S/C20H16BrN3O3/c21-15-6-8-16(9-7-15)23-19(25)13-27-18-5-1-4-17(11-18)24-20(26)14-3-2-10-22-12-14/h1-12H,13H2,(H,23,25)(H,24,26)
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n/an/a 5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of recombinant VEGFR2 after 1 hr by fluorescence polarization assay


Eur J Med Chem 45: 5420-7 (2010)


Article DOI: 10.1016/j.ejmech.2010.09.002
BindingDB Entry DOI: 10.7270/Q2TX3FMZ
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133710
PNG
(US8846699, 26)
Show SMILES Fc1cc(Br)ccc1Nc1ncnc2cc(OCCNC(=O)C=C)c(NC(=O)C=C)cc12
Show InChI InChI=1S/C22H19BrFN5O3/c1-3-20(30)25-7-8-32-19-11-17-14(10-18(19)28-21(31)4-2)22(27-12-26-17)29-16-6-5-13(23)9-15(16)24/h3-6,9-12H,1-2,7-8H2,(H,25,30)(H,28,31)(H,26,27,29)
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n/an/a 5n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133803
PNG
(US8846699, 121)
Show SMILES CC(=O)NCCOc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C21H18Cl2FN5O3/c1-3-20(31)28-18-6-12-16(9-19(18)32-5-4-25-11(2)30)26-10-27-21(12)29-17-8-14(23)13(22)7-15(17)24/h3,6-10H,1,4-5H2,2H3,(H,25,30)(H,28,31)(H,26,27,29)
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n/an/a 5n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM133706
PNG
(US8846699, 22)
Show SMILES FC(F)C(=O)NCCOc1cc2ncnc(Nc3ccc(Br)cc3F)c2cc1NC(=O)C=C
Show InChI InChI=1S/C21H17BrF3N5O3/c1-2-18(31)29-16-8-12-15(9-17(16)33-6-5-26-21(32)19(24)25)27-10-28-20(12)30-14-4-3-11(22)7-13(14)23/h2-4,7-10,19H,1,5-6H2,(H,26,32)(H,29,31)(H,27,28,30)
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n/an/a 5n/an/an/an/a7.425



Hanmi Pharm. Co., Ltd.

US Patent


Assay Description
EGFR1 (HER-1) enzyme assay was carried out by using Tyrosine Kinase Assay Kit Green. The entire assay was conducted in accordance with EGFR PTK inhib...


US Patent US8846699 (2014)


BindingDB Entry DOI: 10.7270/Q2KW5DRK
More data for this
Ligand-Target Pair
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