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PubMed code 26342867

Compile data set for download or QSAR
Found 52 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123808
PNG
(CHEMBL3623372)
Show SMILES CN(C)CCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C24H29N7O3S/c1-24(2,3)19-12-20(29-34-19)28-22(33)26-16-8-6-15(7-9-16)17-13-31-18(14-35-23(31)27-17)21(32)25-10-11-30(4)5/h6-9,12-14H,10-11H2,1-5H3,(H,25,32)(H2,26,28,29,33)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 22n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Macrophage colony-stimulating factor 1 receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 43n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fms


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50123806
PNG
(CHEMBL3623373)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(cc2)-c2cn3c(csc3n2)C(=O)NCCS(C)(=O)=O)no1
Show InChI InChI=1S/C23H26N6O5S2/c1-23(2,3)18-11-19(28-34-18)27-21(31)25-15-7-5-14(6-8-15)16-12-29-17(13-35-22(29)26-16)20(30)24-9-10-36(4,32)33/h5-8,11-13H,9-10H2,1-4H3,(H,24,30)(H2,25,27,28,31)
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n/an/a 95n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt3


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 294n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ckit


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 370n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRalpha


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 986n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Ret


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 1.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt4


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Platelet-derived growth factor receptor beta


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 1.98E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDGFRbeta


Bioorg Med Chem Lett 25: 4534-8 (2015)

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))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 2.46E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant KDR


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 2.83E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Flt1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PIM


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a 4.04E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lck


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant c-RAF


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK7


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
5'-AMP-activated protein kinase catalytic subunit alpha-1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant AMPKalpha1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GSK3beta


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Fes/Fps


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fes


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Plk1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase D1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKCmu


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
SRC


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Fyn


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-4


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ErbB4


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase SYK


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Syk


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lyn


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Lyn


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 10


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JNK3


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant JAK3


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CDK2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EGFR


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
p21-Activated kinase 2 (PAK2)


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IRE1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora-A


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant FGFR2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Ephrin receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant EphB2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Polycystin-2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PKD2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
PAK1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant IGF-1R


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
CaM kinase IV


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CaMK4


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant BTK


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Abl


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 9


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MLK1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Axl


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BMX


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Bmx


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CHK1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Met


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Receptor tyrosine-protein kinase erbB-2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant ErbB2


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MEK1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PAK4


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha 1


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Rsk1


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Myotonin-protein kinase


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DMPK


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
BDNF/NT-3 growth factors receptor


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant TrkB


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Aurora-B


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL2


(Homo sapiens (Human))
BDBM50123803
PNG
(CHEMBL3623375)
Show SMILES CN(C)CCCNC(=O)c1csc2nc(cn12)-c1ccc(NC(=O)Nc2cc(on2)C(C)(C)C)cc1
Show InChI InChI=1S/C25H31N7O3S/c1-25(2,3)20-13-21(30-35-20)29-23(34)27-17-9-7-16(8-10-17)18-14-32-19(15-36-24(32)28-18)22(33)26-11-6-12-31(4)5/h7-10,13-15H,6,11-12H2,1-5H3,(H,26,33)(H2,27,29,30,34)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Arg


Bioorg Med Chem Lett 25: 4534-8 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%