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PubMed code 17306530

Compile data set for download or QSAR
Found 48 hits of Enzyme Inhibition Constant Data   
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))
BDBM8870
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}phenyl)-1...)
Show SMILES Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c12
Show InChI InChI=1S/C19H14ClN5OS/c20-12-2-1-3-14(8-12)25-19(26)24-13-6-4-11(5-7-13)15-9-27-18-16(15)17(21)22-10-23-18/h1-10H,(H2,21,22,23)(H2,24,25,26)
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n/an/a 3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8813
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19N5OS/c1-12-4-3-5-16(10-12)26-21(27)25-15-8-6-14(7-9-15)17-13(2)28-20-18(17)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4635
PNG
(2-chloro-4-fluoro-5-{[6-methoxy-7-(2-methoxyethoxy...)
Show SMILES COCCOc1cc2nncc(Nc3cc(O)c(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O4/c1-25-3-4-27-18-8-13-10(5-17(18)26-2)15(9-21-23-13)22-14-7-16(24)11(19)6-12(14)20/h5-9,24H,3-4H2,1-2H3,(H,22,23)
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n/an/a 4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205546
PNG
((Z)-3-((4-(2-carboxyethyl)-4,5,6,7-tetrahydro-1H-i...)
Show SMILES OC(=O)CCC1CCCc2[nH]c(\C=C3/C(=O)Nc4ccc(cc34)C(O)=O)cc12 |w:5.4|
Show InChI InChI=1S/C21H20N2O5/c24-19(25)7-5-11-2-1-3-17-14(11)9-13(22-17)10-16-15-8-12(21(27)28)4-6-18(15)23-20(16)26/h4,6,8-11,22H,1-3,5,7H2,(H,23,26)(H,24,25)(H,27,28)/b16-10-
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n/an/a 4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8813
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C21H19N5OS/c1-12-4-3-5-16(10-12)26-21(27)25-15-8-6-14(7-9-15)17-13(2)28-20-18(17)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 6n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4628
PNG
(Anilinoquinazoline deriv. 11 | CHEMBL286160 | KDR ...)
Show SMILES COCCOc1cc2ncnc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-17-9-15-12(8-16(17)25-2)18(22-10-21-15)23-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,21,22,23)
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n/an/a 7n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168397
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-oxazol-2-y...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C21H20F2N6O3/c1-10(2)17-13(21-24-7-11(3)32-21)8-29-18(17)19(25-9-26-29)27-16-5-12(20(30)28-31-4)14(22)6-15(16)23/h5-10H,1-4H3,(H,28,30)(H,25,26,27)
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n/an/a 8n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4636
PNG
(4-anilinocinnoline deriv. 19 | CHEMBL150825 | N-(4...)
Show SMILES COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-18-9-15-12(8-17(18)25-2)16(10-21-23-15)22-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
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n/an/a 10n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4636
PNG
(4-anilinocinnoline deriv. 19 | CHEMBL150825 | N-(4...)
Show SMILES COCCOc1cc2nncc(Nc3ccc(Cl)cc3F)c2cc1OC
Show InChI InChI=1S/C18H17ClFN3O3/c1-24-5-6-26-18-9-15-12(8-17(18)25-2)16(10-21-23-15)22-14-4-3-11(19)7-13(14)20/h3-4,7-10H,5-6H2,1-2H3,(H,22,23)
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n/an/a 10n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8862
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-3-fluoro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)c(F)c2)c1
Show InChI InChI=1S/C20H16FN5OS/c1-11-3-2-4-12(7-11)25-20(27)26-13-5-6-14(16(21)8-13)15-9-28-19-17(15)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 11n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8867
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-2-methox...)
Show SMILES COc1cc(ccc1NC(=O)Nc1cccc(C)c1)-c1csc2ncnc(N)c12
Show InChI InChI=1S/C21H19N5O2S/c1-12-4-3-5-14(8-12)25-21(27)26-16-7-6-13(9-17(16)28-2)15-10-29-20-18(15)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 13n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205548
PNG
(CHEMBL230413 | ethyl 5-isopropyl-4-(5-(methoxycarb...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)c(C)cc3C)c2c1C(C)C
Show InChI InChI=1S/C22H27N5O4/c1-7-31-22(29)16-10-27-19(18(16)12(2)3)20(23-11-24-27)25-17-9-15(21(28)26-30-6)13(4)8-14(17)5/h8-12H,7H2,1-6H3,(H,26,28)(H,23,24,25)
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n/an/a 13n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8860
PNG
(3-{4-[4-amino-6-(3-hydroxypropyl)thieno[2,3-d]pyri...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCCO)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C23H23N5O2S/c1-14-4-2-5-17(12-14)28-23(30)27-16-9-7-15(8-10-16)19-18(6-3-11-29)31-22-20(19)21(24)25-13-26-22/h2,4-5,7-10,12-13,29H,3,6,11H2,1H3,(H2,24,25,26)(H2,27,28,30)
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n/an/a 15n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4814
PNG
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)
Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C
Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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n/an/a 18n/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
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168387
PNG
(2,4-Difluoro-5-[5-isopropyl-6-(5-methyl-[1,3,4]oxa...)
Show SMILES CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C)o4)c(C(C)C)c23)c(F)cc1F
Show InChI InChI=1S/C20H19F2N7O3/c1-9(2)16-12(20-27-26-10(3)32-20)7-29-17(16)18(23-8-24-29)25-15-5-11(19(30)28-31-4)13(21)6-14(15)22/h5-9H,1-4H3,(H,28,30)(H,23,24,25)
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n/an/a 18n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8865
PNG
(3-(4-{4-aminothieno[2,3-d]pyrimidin-5-yl}-2-fluoro...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2F)-c2csc3ncnc(N)c23)c1
Show InChI InChI=1S/C20H16FN5OS/c1-11-3-2-4-13(7-11)25-20(27)26-16-6-5-12(8-15(16)21)14-9-28-19-17(14)18(22)23-10-24-19/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 19n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8858
PNG
(3-{4-[4-amino-6-(2-hydroxyethyl)thieno[2,3-d]pyrim...)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2c(CCO)sc3ncnc(N)c23)c1
Show InChI InChI=1S/C22H21N5O2S/c1-13-3-2-4-16(11-13)27-22(29)26-15-7-5-14(6-8-15)18-17(9-10-28)30-21-19(18)20(23)24-12-25-21/h2-8,11-12,28H,9-10H2,1H3,(H2,23,24,25)(H2,26,27,29)
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n/an/a 19n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4882
PNG
((Z)-3-[(3-(2-Carboxyethyl)-4-methylpyrrol-2-yl)met...)
Show SMILES Cc1c[nH]c(\C=C2/C(=O)Nc3ccccc23)c1CCC(O)=O
Show InChI InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-
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n/an/a 20n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8824
PNG
(3-(4-{4-amino-6-ethylthieno[2,3-d]pyrimidin-5-yl}p...)
Show SMILES CCc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(C)c2)cc1
Show InChI InChI=1S/C22H21N5OS/c1-3-17-18(19-20(23)24-12-25-21(19)29-17)14-7-9-15(10-8-14)26-22(28)27-16-6-4-5-13(2)11-16/h4-12H,3H2,1-2H3,(H2,23,24,25)(H2,26,27,28)
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n/an/a 26n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205551
PNG
((Z)-3-(2-((5-bromo-2-oxoindolin-3-ylidene)methyl)-...)
Show SMILES OC(=O)CCC1CCCc2[nH]c(\C=C3/C(=O)Nc4ccc(Br)cc34)cc12 |w:5.4|
Show InChI InChI=1S/C20H19BrN2O3/c21-12-5-6-18-15(8-12)16(20(26)23-18)10-13-9-14-11(4-7-19(24)25)2-1-3-17(14)22-13/h5-6,8-11,22H,1-4,7H2,(H,23,26)(H,24,25)/b16-10-
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n/an/a 30n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8838
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C20H16ClN5OS/c1-11-16(17-18(22)23-10-24-19(17)28-11)12-5-7-14(8-6-12)25-20(27)26-15-4-2-3-13(21)9-15/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 35n/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
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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8842
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
Show InChI InChI=1S/C21H16F3N5OS/c1-11-16(17-18(25)26-10-27-19(17)31-11)12-5-7-14(8-6-12)28-20(30)29-15-4-2-3-13(9-15)21(22,23)24/h2-10H,1H3,(H2,25,26,27)(H2,28,29,30)
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n/an/a 52n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8830
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2ccc(C)cc2)cc1
Show InChI InChI=1S/C21H19N5OS/c1-12-3-7-15(8-4-12)25-21(27)26-16-9-5-14(6-10-16)17-13(2)28-20-18(17)19(22)23-11-24-20/h3-11H,1-2H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 53n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8835
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cccc(F)c2)cc1
Show InChI InChI=1S/C20H16FN5OS/c1-11-16(17-18(22)23-10-24-19(17)28-11)12-5-7-14(8-6-12)25-20(27)26-15-4-2-3-13(21)9-15/h2-10H,1H3,(H2,22,23,24)(H2,25,26,27)
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n/an/a 54n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8820
PNG
(3-(4-{4-amino-6-methylthieno[2,3-d]pyrimidin-5-yl}...)
Show SMILES CN(C(=O)Nc1cccc(C)c1)c1ccc(cc1)-c1c(C)sc2ncnc(N)c12
Show InChI InChI=1S/C22H21N5OS/c1-13-5-4-6-16(11-13)26-22(28)27(3)17-9-7-15(8-10-17)18-14(2)29-21-19(18)20(23)24-12-25-21/h4-12H,1-3H3,(H,26,28)(H2,23,24,25)
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n/an/a 55n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205552
PNG
(5-(6,7-bis(2-methoxyethoxy)quinazolin-4-ylamino)-2...)
Show SMILES COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OCCOC
Show InChI InChI=1S/C20H21ClFN3O5/c1-27-3-5-29-18-7-12-15(10-19(18)30-6-4-28-2)23-11-24-20(12)25-16-9-17(26)13(21)8-14(16)22/h7-11,26H,3-6H2,1-2H3,(H,23,24,25)
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n/an/a 60n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205555
PNG
(3-(2-((2-oxoindolin-3-ylidene)methyl)-4,5,6,7-tetr...)
Show SMILES OC(=O)CCC1CCCc2[nH]c(\C=C3/C(=O)Nc4ccccc34)cc12 |w:5.4|
Show InChI InChI=1S/C20H20N2O3/c23-19(24)9-8-12-4-3-7-18-15(12)10-13(21-18)11-16-14-5-1-2-6-17(14)22-20(16)25/h1-2,5-6,10-12,21H,3-4,7-9H2,(H,22,25)(H,23,24)/b16-11-
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n/an/a 90n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168413
PNG
(5-Isopropyl-4-(3-methoxycarbamoyl-phenylamino)-pyr...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3cccc(c3)C(=O)NOC)c2c1C(C)C
Show InChI InChI=1S/C20H23N5O4/c1-5-29-20(27)15-10-25-17(16(15)12(2)3)18(21-11-22-25)23-14-8-6-7-13(9-14)19(26)24-28-4/h6-12H,5H2,1-4H3,(H,24,26)(H,21,22,23)
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n/an/a 130n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4877
PNG
(1-(3-Methoxy-4-chloroanilino)-4-(4-pyridylmethyl)-...)
Show SMILES COc1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H17ClN4O/c1-27-20-13-15(6-7-18(20)22)24-21-17-5-3-2-4-16(17)19(25-26-21)12-14-8-10-23-11-9-14/h2-11,13H,12H2,1H3,(H,24,26)
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n/an/a 140n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205554
PNG
(2-chloro-4-fluoro-5-(7-(2-methoxyethoxy)quinazolin...)
Show SMILES COCCOc1ccc2c(Nc3cc(O)c(Cl)cc3F)ncnc2c1
Show InChI InChI=1S/C17H15ClFN3O3/c1-24-4-5-25-10-2-3-11-14(6-10)20-9-21-17(11)22-15-8-16(23)12(18)7-13(15)19/h2-3,6-9,23H,4-5H2,1H3,(H,20,21,22)
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n/an/a 150n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4810
PNG
((3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-...)
Show SMILES Cc1cc(C)c(\C=C2/C(=O)Nc3ccccc23)[nH]1
Show InChI InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-
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n/an/a 200n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4867
PNG
(CGP79787 Analog 50 | CHEMBL75077 | N-(4-chlorophen...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ncccc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-3-5-15(6-4-14)23-19-16-2-1-9-22-18(16)17(24-25-19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,23,25)
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n/an/a 240n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168419
PNG
(4-(4-Bromo-3-methoxycarbamoyl-phenylamino)-5-isopr...)
Show SMILES CCOC(=O)c1cn2ncnc(Nc3ccc(Br)c(c3)C(=O)NOC)c2c1C(C)C
Show InChI InChI=1S/C20H22BrN5O4/c1-5-30-20(28)14-9-26-17(16(14)11(2)3)18(22-10-23-26)24-12-6-7-15(21)13(8-12)19(27)25-29-4/h6-11H,5H2,1-4H3,(H,25,27)(H,22,23,24)
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n/an/a 270n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50168415
PNG
(5-Isopropyl-4-(3-methoxycarbamoyl-phenoxy)-pyrrolo...)
Show SMILES CCOC(=O)c1cn2ncnc(Oc3cccc(c3)C(=O)NOC)c2c1C(C)C
Show InChI InChI=1S/C20H22N4O5/c1-5-28-20(26)15-10-24-17(16(15)12(2)3)19(21-11-22-24)29-14-8-6-7-13(9-14)18(25)23-27-4/h6-12H,5H2,1-4H3,(H,23,25)
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n/an/a 270n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4879
PNG
(1-(3-Trifluormethyl-4-chloroanilino)-4-(4-pyridylm...)
Show SMILES FC(F)(F)c1cc(Nc2nnc(Cc3ccncc3)c3ccccc23)ccc1Cl
Show InChI InChI=1S/C21H14ClF3N4/c22-18-6-5-14(12-17(18)21(23,24)25)27-20-16-4-2-1-3-15(16)19(28-29-20)11-13-7-9-26-10-8-13/h1-10,12H,11H2,(H,27,29)
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n/an/a 300n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205547
PNG
((Z)-3-(2-((6-methoxy-2-oxoindolin-3-ylidene)methyl...)
Show SMILES COc1ccc2\C(=C\c3cc4C(CCC(O)=O)CCCc4[nH]3)C(=O)Nc2c1 |w:11.11|
Show InChI InChI=1S/C21H22N2O4/c1-27-14-6-7-15-17(21(26)23-19(15)11-14)10-13-9-16-12(5-8-20(24)25)3-2-4-18(16)22-13/h6-7,9-12,22H,2-5,8H2,1H3,(H,23,26)(H,24,25)/b17-10-
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n/an/a 380n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4862
PNG
(1-(4-Chloroanilino)-4-(4-pyridylmethyl)-7-aminopht...)
Show SMILES Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C20H16ClN5/c21-14-1-4-16(5-2-14)24-20-18-12-15(22)3-6-17(18)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11,22H2,(H,24,26)
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n/an/a 650n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4869
PNG
(3-(4-Chloroanilino)-4,5-dimethyl-6-(4-pyridylmethy...)
Show SMILES Cc1c(C)c(Nc2ccc(Cl)cc2)nnc1Cc1ccncc1
Show InChI InChI=1S/C18H17ClN4/c1-12-13(2)18(21-16-5-3-15(19)4-6-16)23-22-17(12)11-14-7-9-20-10-8-14/h3-10H,11H2,1-2H3,(H,21,23)
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n/an/a 870n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205550
PNG
(8-methyl-4H,7H-indolo[6,5,4-cd]indol-5-one | CHEMB...)
Show SMILES Cc1cc2c(cc3C(=O)Nc4cccc2c34)[nH]1
Show InChI InChI=1S/C14H10N2O/c1-7-5-9-8-3-2-4-11-13(8)10(14(17)16-11)6-12(9)15-7/h2-6,15H,1H3,(H,16,17)
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n/an/a 1.00E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4865
PNG
(4-(4-Chloroanilino)-1-(4-pyridylmethyl)pyrido[3,4-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccncc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-1-3-15(4-2-14)23-19-17-12-22-10-7-16(17)18(24-25-19)11-13-5-8-21-9-6-13/h1-10,12H,11H2,(H,23,25)
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n/an/a 1.40E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4864
PNG
(8-(4-Chloroanilino)-5-(4-pyridylmethyl)pyrido[2,3-...)
Show SMILES Clc1ccc(Nc2nnc(Cc3ccncc3)c3cccnc23)cc1
Show InChI InChI=1S/C19H14ClN5/c20-14-3-5-15(6-4-14)23-19-18-16(2-1-9-22-18)17(24-25-19)12-13-7-10-21-11-8-13/h1-11H,12H2,(H,23,25)
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n/an/a 1.70E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM4619
PNG
(Anilinoquinazoline deriv. 2 | CHEMBL1204360 | CHEM...)
Show SMILES COc1cc2ncnc(Nc3ccccc3F)c2cc1OC
Show InChI InChI=1S/C16H14FN3O2/c1-21-14-7-10-13(8-15(14)22-2)18-9-19-16(10)20-12-6-4-3-5-11(12)17/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 2.70E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205545
PNG
(CHEMBL230520 | N-(2,4-dimethylphenyl)-6,7-dimethox...)
Show SMILES COc1cc2ncnc(Nc3ccc(C)cc3C)c2cc1OC
Show InChI InChI=1S/C18H19N3O2/c1-11-5-6-14(12(2)7-11)21-18-13-8-16(22-3)17(23-4)9-15(13)19-10-20-18/h5-10H,1-4H3,(H,19,20,21)
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n/an/a 2.90E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM8809
PNG
(5-(4-Aminophenyl)-6-methylthieno[2,3-d]pyrimidin-4...)
Show SMILES Cc1sc2ncnc(N)c2c1-c1ccc(N)cc1
Show InChI InChI=1S/C13H12N4S/c1-7-10(8-2-4-9(14)5-3-8)11-12(15)16-6-17-13(11)18-7/h2-6H,14H2,1H3,(H2,15,16,17)
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n/an/a 4.60E+3n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205549
PNG
(3-((3-bromothiophen-2-yl)methylene)indolin-2-one |...)
Show SMILES Brc1ccsc1\C=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C13H8BrNOS/c14-10-5-6-17-12(10)7-9-8-3-1-2-4-11(8)15-13(9)16/h1-7H,(H,15,16)/b9-7+
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n/an/a 1.54E+4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205553
PNG
(3-((1-methyl-1H-pyrrol-2-yl)methylene)indolin-2-on...)
Show SMILES Cn1cccc1\C=C1\C(=O)Nc2ccccc12
Show InChI InChI=1S/C14H12N2O/c1-16-8-4-5-10(16)9-12-11-6-2-3-7-13(11)15-14(12)17/h2-9H,1H3,(H,15,17)/b12-9+
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n/an/a 2.00E+4n/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
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50205556
PNG
(3-((1H-pyrrol-2-yl)methylene)-4-methylindolin-2-on...)
Show SMILES Cc1cccc2NC(=O)\C(=C\c3ccc[nH]3)c12
Show InChI InChI=1S/C14H12N2O/c1-9-4-2-6-12-13(9)11(14(17)16-12)8-10-5-3-7-15-10/h2-8,15H,1H3,(H,16,17)/b11-8+
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n/an/a 3.10E+4n/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
* indicates data uncertainty>20%