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Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)' and Ligand = 'BDBM50188749'   
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 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50188749
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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n/an/a 11n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR at 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50188749
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50188749
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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n/an/a 195n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR phosphorylation in NIH3T3 cells by ELISA


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50188749
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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n/an/a 259n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tie2 at 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)


(Homo sapiens (Human))
BDBM50188749
PNG
(1-methyl-1-((5-(7-((4-methylpiperazin-1-yl)methyl)...)
Show SMILES CN(Cc1ccc(s1)-c1[nH]nc-2c1Cc1ccc(CN3CCN(C)CC3)cc-21)C(=O)Nc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H31F3N6OS/c1-37-10-12-39(13-11-37)17-19-6-7-20-15-25-27(24(20)14-19)35-36-28(25)26-9-8-23(41-26)18-38(2)29(40)34-22-5-3-4-21(16-22)30(31,32)33/h3-9,14,16H,10-13,15,17-18H2,1-2H3,(H,34,40)(H,35,36)
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PC cid
PC sid
UniChem
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n/an/a 259n/an/an/an/an/an/a



Schering-Plough

Curated by ChEMBL


Assay Description
Inhibition of Tie2


J Med Chem 53: 1413-37 (2010)


Article DOI: 10.1021/jm901132v
BindingDB Entry DOI: 10.7270/Q2VD6ZK0
More data for this
Ligand-Target Pair