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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2' and Ligand = 'BDBM50207480'   
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))
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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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))
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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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
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)
PDB
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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of VEGF-induced human KDR phosphorylation in mouse 3T3 cells by ELISA


J Med Chem 50: 1584-97 (2007)


Article DOI: 10.1021/jm061280h
BindingDB Entry DOI: 10.7270/Q2DJ5F95
More data for this
Ligand-Target Pair