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PubMed code 22738639

Compile data set for download or QSAR
Found 6 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))
BDBM5893
PNG
(3-[4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1...)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3C(=O)NCc23)c1
Show InChI InChI=1S/C22H16F3N3O2/c23-22(24,25)14-3-1-4-16(11-14)28-21(30)27-15-9-7-13(8-10-15)17-5-2-6-18-19(17)12-26-20(18)29/h1-11H,12H2,(H,26,29)(H2,27,28,30)
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Article
PubMed
n/an/a 7n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50207480
PNG
(1-(4-(3-amino-1H-indazol-4-yl)phenyl)-3-(3-(triflu...)
Show SMILES Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(c4)C(F)(F)F)cc3)c12
Show InChI InChI=1S/C21H16F3N5O/c22-21(23,24)13-3-1-4-15(11-13)27-20(30)26-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(25)29-28-17/h1-11H,(H3,25,28,29)(H2,26,27,30)
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PubMed
n/an/a 9n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50387359
PNG
(CHEMBL2046840)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3[nH][nH]c(=O)c23)c1
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)13-3-1-4-15(11-13)26-20(30)25-14-9-7-12(8-10-14)16-5-2-6-17-18(16)19(29)28-27-17/h1-11H,(H2,25,26,30)(H2,27,28,29)
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PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50387358
PNG
(CHEMBL2046839)
Show SMILES FC(F)(F)c1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3c2[nH][nH]c3=O)c1
Show InChI InChI=1S/C21H15F3N4O2/c22-21(23,24)13-3-1-4-15(11-13)26-20(30)25-14-9-7-12(8-10-14)16-5-2-6-17-18(16)27-28-19(17)29/h1-11H,(H2,25,26,30)(H2,27,28,29)
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PubMed
n/an/a 40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50387357
PNG
(CHEMBL2046838)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3c(N)n[nH]c23)c1
Show InChI InChI=1S/C21H19N5O/c1-13-4-2-5-16(12-13)24-21(27)23-15-10-8-14(9-11-15)17-6-3-7-18-19(17)25-26-20(18)22/h2-12H,1H3,(H3,22,25,26)(H2,23,24,27)
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (human))
BDBM50387356
PNG
(CHEMBL2046837)
Show SMILES Cc1cccc(NC(=O)Nc2ccc(cc2)-c2cccc3CNC(=O)c23)c1
Show InChI InChI=1S/C22H19N3O2/c1-14-4-2-6-18(12-14)25-22(27)24-17-10-8-15(9-11-17)19-7-3-5-16-13-23-21(26)20(16)19/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR in presence of 1 mM ATP


Bioorg Med Chem Lett 22: 4502-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.009
BindingDB Entry DOI: 10.7270/Q2K35VQK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%