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BDBM50294451 CHEMBL565061::ethyl 7-(3-(3-(trifluoromethyl)benzamido)phenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate::pyrazolo[1,5-a]pyrimidine-3-carboxylate

SMILES: CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1

InChI Key: InChIKey=YCAVTOUTYRMOGQ-UHFFFAOYSA-N

Data: 15 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50294451   
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
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a 1.54E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells


Bioorg Med Chem Lett 19: 6519-23 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.049
BindingDB Entry DOI: 10.7270/Q2SX6DC7
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase mTOR


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mTOR


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 8


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of Tpl2


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of BTK


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of AKT


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of CDK4


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of LYN


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of KDR


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PI3Kalpha


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of SRC


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a 1.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant B-Raf expressed in Sf9 cells assessed as inhibition of Mek1 phosphorylation


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial


(Homo sapiens (Human))
BDBM50294451
PNG
(CHEMBL565061 | ethyl 7-(3-(3-(trifluoromethyl)benz...)
Show SMILES CCOC(=O)c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1
Show InChI InChI=1S/C23H17F3N4O3/c1-2-33-22(32)18-13-28-30-19(9-10-27-20(18)30)14-5-4-8-17(12-14)29-21(31)15-6-3-7-16(11-15)23(24,25)26/h3-13H,2H2,1H3,(H,29,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 19: 2735-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.129
BindingDB Entry DOI: 10.7270/Q28C9W8N
More data for this
Ligand-Target Pair