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BDBM26372 2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-5-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)benzamide::Aminopyrimidine amide urea, 23b

SMILES: CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1

InChI Key: InChIKey=RTGBHFYSFQEMPE-UHFFFAOYSA-N

Data: 5 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 26372   
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
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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n/an/a 0.600n/an/an/an/a7.522



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
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))
BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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n/an/a>8.30E+3n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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n/an/a>2.50E+4n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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n/an/a 2n/an/an/an/an/an/a



Amgen



Assay Description
In vitro kinase assays were done to establish IC50 values against recombinant enzymes using homogeneous time-resolved fluorescence (HTRF) assay. For ...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
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))
BDBM26372
PNG
(2-methyl-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]a...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(NC(=O)c3cc(NC(=O)Nc4cccc(c4)C(F)(F)F)ccc3C)cn2)cc1
Show InChI InChI=1S/C31H31F3N8O2/c1-20-6-7-24(40-30(44)39-23-5-3-4-21(16-23)31(32,33)34)17-27(20)28(43)37-25-18-35-29(36-19-25)38-22-8-10-26(11-9-22)42-14-12-41(2)13-15-42/h3-11,16-19H,12-15H2,1-2H3,(H,37,43)(H,35,36,38)(H2,39,40,44)
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Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Amgen



Assay Description
The assay involves the phosphorylation of a biotinylated substrate and the detection of this phosphorylation after the addition of a streptavidin-all...


J Med Chem 51: 1681-94 (2008)


Article DOI: 10.1021/jm7010996
BindingDB Entry DOI: 10.7270/Q2Q81BCB
More data for this
Ligand-Target Pair