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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 297.3
BDBM4622
Purchase
Wt: 311.3
BDBM26477
Wt: 311.3
BDBM50154000
Wt: 315.2
BDBM50154001
Wt: 315.2
BDBM50154010
Wt: 311.3
BDBM50154206
Wt: 311.3
BDBM50153907
Wt: 315.2
BDBM50153979
Wt: 313.3
BDBM50154246
Wt: 315.2
BDBM50154249
Wt: 314.3
BDBM50153892
Wt: 298.2
BDBM50153893
Wt: 311.3
BDBM50153894
Wt: 320.3
BDBM50165892
Wt: 320.3
BDBM50165893
Displayed 1 to 15 (of 72 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 68 hits in this display   
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


(Homo sapiens (human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 0.600n/an/an/an/a7.522



GSK



Assay Description
The assay uses purified baculovirus-expressed GST-VEGFR2 interacting with biotinylated peptide substrates. HTRF is based on the proximity of europium...


J Med Chem 51: 4632-40 (2008)


Article DOI: 10.1021/jm800566m
BindingDB Entry DOI: 10.7270/Q26971XR
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50153979
PNG
(CHEMBL3774904)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 1.10n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Phosphatidylinositol 3-kinase regulatory subunit alpha


(Homo sapiens (Human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 2n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of PI3K


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154001
PNG
(CHEMBL3775934)
Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 2.60n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 3.20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154246
PNG
(CHEMBL3774580)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3O)c2cc1OC
Show InChI InChI=1S/C16H15N3O4/c1-22-13-6-9-11(7-14(13)23-2)17-8-18-16(9)19-10-4-3-5-12(20)15(10)21/h3-8,20-21H,1-2H3,(H,17,18,19)
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n/an/a 3.90n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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Article
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n/an/a 4.5n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 4.60n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50153907
PNG
(CHEMBL3774951)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3C)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(21)6-13(10)20-17-12-7-15(22-2)16(23-3)8-14(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 8.40n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50153893
PNG
(CHEMBL3775672)
Show SMILES COc1cc2ncnc(Oc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O4/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 16n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 18n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153979
PNG
(CHEMBL3774904)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 20n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50153892
PNG
(CHEMBL3775376)
Show SMILES COc1cc2ncnc(Sc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O3S/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 23n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154000
PNG
(CHEMBL3775086)
Show SMILES COc1cc2ncnc(Nc3cc(C)cc(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-11(6-12(21)5-10)20-17-13-7-15(22-2)16(23-3)8-14(13)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 29n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 50n/an/an/an/an/a25



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 50n/an/an/an/an/an/a



Shanghai Jiaotong University

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 17: 2126-33 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.089
BindingDB Entry DOI: 10.7270/Q2S1839D
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50153979
PNG
(CHEMBL3774904)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 53n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 66n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154001
PNG
(CHEMBL3775934)
Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 66n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 72n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 88n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153979
PNG
(CHEMBL3774904)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-13-5-9(21)3-4-11(13)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 98n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153893
PNG
(CHEMBL3775672)
Show SMILES COc1cc2ncnc(Oc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O4/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 150n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153907
PNG
(CHEMBL3774951)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3C)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(21)6-13(10)20-17-12-7-15(22-2)16(23-3)8-14(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 160n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50154206
PNG
(CHEMBL3775569)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3C)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-12(5-4-6-14(10)21)20-17-11-7-15(22-2)16(23-3)8-13(11)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 190n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 200n/an/an/an/a7.422



AstraZeneca



Assay Description
An ELISA assay was used to determine the ability of inhibitor to inhibit VEGF-R RTK activity. The compounds were incubated with enzyme 20 min at room...


J Med Chem 42: 5369-89 (1999)


Article DOI: 10.1021/jm990345w
BindingDB Entry DOI: 10.7270/Q2F47MBM
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50154001
PNG
(CHEMBL3775934)
Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 200n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153892
PNG
(CHEMBL3775376)
Show SMILES COc1cc2ncnc(Sc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O3S/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 210n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50153894
PNG
(CHEMBL3774935)
Show SMILES COc1cc2ncnc(N(C)c3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-20(11-5-4-6-12(21)7-11)17-13-8-15(22-2)16(23-3)9-14(13)18-10-19-17/h4-10,21H,1-3H3
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n/an/a 210n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human RET cytoplasmic domain (658 to 1114 residues) expressed in baculovirus system preincubated for 15 mins followed by substrate addi...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154001
PNG
(CHEMBL3775934)
Show SMILES COc1cc2ncnc(Nc3cc(O)cc(F)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-12-13(7-15(14)23-2)18-8-19-16(12)20-10-3-9(17)4-11(21)5-10/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 260n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 280n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154000
PNG
(CHEMBL3775086)
Show SMILES COc1cc2ncnc(Nc3cc(C)cc(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-11(6-12(21)5-10)20-17-13-7-15(22-2)16(23-3)8-14(13)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 350n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of recombinant His-tagged human KDR expressed in insect Sf21 cells preincubated for 15 mins followed by substrate addition measured after ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 360n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 380n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50153907
PNG
(CHEMBL3774951)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3C)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(21)6-13(10)20-17-12-7-15(22-2)16(23-3)8-14(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 460n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50154249
PNG
(CHEMBL3775879)
Show SMILES COc1cc2ncnc(Nc3ccc(F)c(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-14-6-10-12(7-15(14)23-2)18-8-19-16(10)20-9-3-4-11(17)13(21)5-9/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 490n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM26477
PNG
(5-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylph...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(6-14(10)21)20-17-12-7-15(22-2)16(23-3)8-13(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 500n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 570n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50153893
PNG
(CHEMBL3775672)
Show SMILES COc1cc2ncnc(Oc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O4/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 620n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153893
PNG
(CHEMBL3775672)
Show SMILES COc1cc2ncnc(Oc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O4/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 840n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 890n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Cdk2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50154246
PNG
(CHEMBL3774580)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3O)c2cc1OC
Show InChI InChI=1S/C16H15N3O4/c1-22-13-6-9-11(7-14(13)23-2)17-8-18-16(9)19-10-4-3-5-12(20)15(10)21/h3-8,20-21H,1-2H3,(H,17,18,19)
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n/an/a 1.10E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens)
BDBM4622
PNG
(3-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol | An...)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Protana Inc.

Curated by ChEMBL


Assay Description
Inhibition of EPH receptor B2 using ELISA


J Med Chem 48: 3221-30 (2005)


Article DOI: 10.1021/jm0492204
BindingDB Entry DOI: 10.7270/Q2DF6QRN
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154000
PNG
(CHEMBL3775086)
Show SMILES COc1cc2ncnc(Nc3cc(C)cc(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-11(6-12(21)5-10)20-17-13-7-15(22-2)16(23-3)8-14(13)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50154010
PNG
(CHEMBL3775903)
Show SMILES COc1cc2ncnc(Nc3cccc(O)c3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O3/c1-22-13-6-9-11(7-14(13)23-2)18-8-19-16(9)20-10-4-3-5-12(21)15(10)17/h3-8,21H,1-2H3,(H,18,19,20)
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153907
PNG
(CHEMBL3774951)
Show SMILES COc1cc2ncnc(Nc3cc(O)ccc3C)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-5-11(21)6-13(10)20-17-12-7-15(22-2)16(23-3)8-14(12)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Kinesin-1 heavy chain/ Tyrosine-protein kinase receptor RET


(Homo sapiens-Homo sapiens (Human))
BDBM50154000
PNG
(CHEMBL3775086)
Show SMILES COc1cc2ncnc(Nc3cc(C)cc(O)c3)c2cc1OC
Show InChI InChI=1S/C17H17N3O3/c1-10-4-11(6-12(21)5-10)20-17-13-7-15(22-2)16(23-3)8-14(13)18-9-19-17/h4-9,21H,1-3H3,(H,18,19,20)
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KIF5B/RET (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based ...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50153892
PNG
(CHEMBL3775376)
Show SMILES COc1cc2ncnc(Sc3cccc(O)c3)c2cc1OC
Show InChI InChI=1S/C16H14N2O3S/c1-20-14-7-12-13(8-15(14)21-2)17-9-18-16(12)22-11-5-3-4-10(19)6-11/h3-9,19H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of KDR (unknown origin) expressed in mouse BA/F3 cells assessed as reduction in cell viability after 48 hrs by Cell titre glo-based lumine...


Eur J Med Chem 112: 20-32 (2016)


Article DOI: 10.1016/j.ejmech.2016.01.039
BindingDB Entry DOI: 10.7270/Q27W6F1V
More data for this
Ligand-Target Pair
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