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Compile Data Set for Download or QSAR

Found 7 hits from Comenius University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
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 13n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50005215
PNG
(CHEMBL3109274)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(cc(c2)-c2ccccn2)-c2ccccn2)c1
Show InChI InChI=1S/C28H24N4O4S/c1-3-37(33,34)22-10-11-26(35-2)25(17-22)32-28-31-18-27(36-28)21-15-19(23-8-4-6-12-29-23)14-20(16-21)24-9-5-7-13-30-24/h4-18H,3H2,1-2H3,(H,31,32)
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n/an/a 15n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM5875
PNG
(2-Anilino-5-aryloxazole 39 | N-[5-(Ethylsulfonyl)-...)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cccc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H21N3O4S/c1-3-31(27,28)18-10-11-21(29-2)20(14-18)26-23-25-15-22(30-23)17-8-6-7-16(13-17)19-9-4-5-12-24-19/h4-15H,3H2,1-2H3,(H,25,26)
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n/an/a 17n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 31n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50005212
PNG
(CHEMBL3109275)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(cc(c2)-c2ccccn2)-c2cccnc2)c1
Show InChI InChI=1S/C28H24N4O4S/c1-3-37(33,34)23-9-10-26(35-2)25(16-23)32-28-31-18-27(36-28)22-14-20(19-7-6-11-29-17-19)13-21(15-22)24-8-4-5-12-30-24/h4-18H,3H2,1-2H3,(H,31,32)
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n/an/a 51n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50005213
PNG
(CHEMBL3109276)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(cc(c2)-c2cccnc2)-c2cccnc2)c1
Show InChI InChI=1S/C28H24N4O4S/c1-3-37(33,34)24-8-9-26(35-2)25(15-24)32-28-31-18-27(36-28)23-13-21(19-6-4-10-29-16-19)12-22(14-23)20-7-5-11-30-17-20/h4-18H,3H2,1-2H3,(H,31,32)
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n/an/a 170n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50005214
PNG
(CHEMBL3109277)
Show SMILES CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(o2)-c2cc(Br)cc(c2)-c2ccccn2)c1
Show InChI InChI=1S/C23H20BrN3O4S/c1-3-32(28,29)18-7-8-21(30-2)20(13-18)27-23-26-14-22(31-23)16-10-15(11-17(24)12-16)19-6-4-5-9-25-19/h4-14H,3H2,1-2H3,(H,26,27)
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n/an/a 202n/an/an/an/an/an/a



Comenius University

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged recombinant human VEGFR2 expressed in Sf9 cells by radiometric assay


Eur J Med Chem 72: 146-59 (2014)


Article DOI: 10.1016/j.ejmech.2013.11.023
BindingDB Entry DOI: 10.7270/Q2K93919
More data for this
Ligand-Target Pair