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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 = 'BDBM8835'   
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))
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



Abbott Laboratories



Assay Description
The assay uses purified enzyme interacting with biotinylated peptide substrate. HTRF is based on the proximity of europium cryptate (donor fluorophor...


J Med Chem 48: 6066-83 (2005)


Article DOI: 10.1021/jm050458h
BindingDB Entry DOI: 10.7270/Q2WD3XSF
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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Article
PubMed
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))
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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Article
PubMed
n/an/a 55.0n/an/an/an/an/an/a



Dalian University

Curated by ChEMBL


Assay Description
Inhibition of KDR


J Mol Graph Model 26: 236-45 (2007)


Article DOI: 10.1016/j.jmgm.2006.12.001
BindingDB Entry DOI: 10.7270/Q2GQ7019
More data for this
Ligand-Target Pair