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PubMed code 26344591

Compile data set for download or QSAR
Found 18 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))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118114
PNG
(CHEMBL3612230)
Show SMILES Fc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
Show InChI InChI=1S/C20H14FN3OS2/c21-13-4-6-14(7-5-13)23-20(25)24-15-2-1-3-16(12-15)27-18-8-10-22-17-9-11-26-19(17)18/h1-12H,(H2,23,24,25)
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n/an/a 10n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118116
PNG
(CHEMBL3612232)
Show SMILES Cc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C21H17N3OS2/c1-14-4-2-5-15(12-14)23-21(25)24-16-6-3-7-17(13-16)27-19-8-10-22-18-9-11-26-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 11n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118117
PNG
(CHEMBL3612233)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-3-1-4-14(11-13)26-20(28)27-15-5-2-6-16(12-15)30-18-7-9-25-17-8-10-29-19(17)18/h1-12H,(H2,26,27,28)
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n/an/a 15n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118118
PNG
(CHEMBL3612234)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-5-4-13(11-15(16)21(23,24)25)28-20(29)27-12-2-1-3-14(10-12)31-18-6-8-26-17-7-9-30-19(17)18/h1-11H,(H2,27,28,29)
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n/an/a 16n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118115
PNG
(CHEMBL3612231)
Show SMILES Fc1cccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)c1
Show InChI InChI=1S/C20H14FN3OS2/c21-13-3-1-4-14(11-13)23-20(25)24-15-5-2-6-16(12-15)27-18-7-9-22-17-8-10-26-19(17)18/h1-12H,(H2,23,24,25)
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n/an/a 28n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM16673
PNG
(4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamo...)
Show SMILES CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1
Show InChI InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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n/an/a 90n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of human VEGFR2 after 1.5 to 2 hrs by TR-FRET assay


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118127
PNG
(CHEMBL3612227)
Show SMILES O=C(Nc1ccccc1)Nc1cccc(Sc2ccnc3ccsc23)c1
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-5-2-1-3-6-14)23-15-7-4-8-16(13-15)26-18-9-11-21-17-10-12-25-19(17)18/h1-13H,(H2,22,23,24)
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n/an/a 94n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118128
PNG
(CHEMBL3612228)
Show SMILES COc1ccc(NC(=O)Nc2cccc(Sc3ccnc4ccsc34)c2)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-7-5-14(6-8-16)23-21(25)24-15-3-2-4-17(13-15)28-19-9-11-22-18-10-12-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 107n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118113
PNG
(CHEMBL3612229)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1cccc(Sc2ccnc3ccsc23)c1
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-4-6-15(7-5-14)24-21(26)25-16-2-1-3-17(12-16)28-19-8-10-23-18-9-11-27-20(18)19/h1-12H,(H2,24,25,26)
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n/an/a 206n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118122
PNG
(CHEMBL3612325)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)c1
Show InChI InChI=1S/C21H14F3N3OS2/c22-21(23,24)13-2-1-3-15(12-13)27-20(28)26-14-4-6-16(7-5-14)30-18-8-10-25-17-9-11-29-19(17)18/h1-12H,(H2,26,27,28)
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n/an/a 988n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118119
PNG
(CHEMBL3612235)
Show SMILES O=C(Nc1ccccc1)Nc1ccc(Sc2ccnc3ccsc23)cc1
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-4-2-1-3-5-14)23-15-6-8-16(9-7-15)26-18-10-12-21-17-11-13-25-19(17)18/h1-13H,(H2,22,23,24)
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n/an/a 1.16E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118120
PNG
(CHEMBL3612323)
Show SMILES COc1ccc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-16-6-2-14(3-7-16)23-21(25)24-15-4-8-17(9-5-15)28-19-10-12-22-18-11-13-27-20(18)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a 1.39E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118123
PNG
(CHEMBL3612326)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc(Sc3ccnc4ccsc34)cc2)ccc1Cl
Show InChI InChI=1S/C21H13ClF3N3OS2/c22-16-6-3-13(11-15(16)21(23,24)25)28-20(29)27-12-1-4-14(5-2-12)31-18-7-9-26-17-8-10-30-19(17)18/h1-11H,(H2,27,28,29)
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n/an/a 1.95E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118121
PNG
(CHEMBL3612324)
Show SMILES O=C(Nc1ccc(Sc2ccnc3ccsc23)cc1)Nc1ccc(cc1)C#N
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-1-3-15(4-2-14)24-21(26)25-16-5-7-17(8-6-16)28-19-9-11-23-18-10-12-27-20(18)19/h1-12H,(H2,24,25,26)
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n/an/a 8.36E+3n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118124
PNG
(CHEMBL3612224)
Show SMILES O=C(Nc1ccccc1)Nc1ccccc1Sc1ccnc2ccsc12
Show InChI InChI=1S/C20H15N3OS2/c24-20(22-14-6-2-1-3-7-14)23-15-8-4-5-9-17(15)26-18-10-12-21-16-11-13-25-19(16)18/h1-13H,(H2,22,23,24)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118126
PNG
(CHEMBL3612226)
Show SMILES O=C(Nc1ccc(cc1)C#N)Nc1ccccc1Sc1ccnc2ccsc12
Show InChI InChI=1S/C21H14N4OS2/c22-13-14-5-7-15(8-6-14)24-21(26)25-16-3-1-2-4-18(16)28-19-9-11-23-17-10-12-27-20(17)19/h1-12H,(H2,24,25,26)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50118125
PNG
(CHEMBL3612225)
Show SMILES COc1ccc(NC(=O)Nc2ccccc2Sc2ccnc3ccsc23)cc1
Show InChI InChI=1S/C21H17N3O2S2/c1-26-15-8-6-14(7-9-15)23-21(25)24-16-4-2-3-5-18(16)28-19-10-12-22-17-11-13-27-20(17)19/h2-13H,1H3,(H2,23,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Universidade do Minho

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2 (unknown origin) using Tyr1 peptide as substrate after 1 hr by FRET-based assay in presence of 10 uM ATP


Bioorg Med Chem 23: 6497-509 (2015)


Article DOI: 10.1016/j.bmc.2015.08.010
BindingDB Entry DOI: 10.7270/Q27946G5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%