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PubMed code 22154349

Compile data set for download or QSAR
Found 123 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
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a 9n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a 15n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361091
PNG
(CHEMBL1933578)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361090
PNG
(CHEMBL1933577)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)
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n/an/a 18n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361092
PNG
(CHEMBL1933583)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35)
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n/an/a 28n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361093
PNG
(CHEMBL1933584)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32)
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n/an/a 102n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361094
PNG
(CHEMBL1933579)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30)
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n/an/a 151n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM27351
PNG
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
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n/an/a 219n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361095
PNG
(CHEMBL1933580)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35)
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n/an/a 272n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor FLT3


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a 659n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of FLT3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361096
PNG
(CHEMBL1933585)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35)
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n/an/a 817n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM27351
PNG
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
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n/an/a 1.13E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361094
PNG
(CHEMBL1933579)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361098
PNG
(CHEMBL1933581)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Show InChI InChI=1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361094
PNG
(CHEMBL1933579)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361094
PNG
(CHEMBL1933579)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361093
PNG
(CHEMBL1933584)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361096
PNG
(CHEMBL1933585)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of KIT


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MET


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of RET


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361090
PNG
(CHEMBL1933577)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361092
PNG
(CHEMBL1933583)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of BRK


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDC7


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361091
PNG
(CHEMBL1933578)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361092
PNG
(CHEMBL1933583)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361092
PNG
(CHEMBL1933583)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST4


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MST4


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PAK4


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
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))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361098
PNG
(CHEMBL1933581)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Show InChI InChI=1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361093
PNG
(CHEMBL1933584)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361090
PNG
(CHEMBL1933577)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase receptor Ret


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of RET


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361095
PNG
(CHEMBL1933580)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361091
PNG
(CHEMBL1933578)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Inhibitor of NF-kappa-B kinase (IKK)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IKK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361091
PNG
(CHEMBL1933578)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Hepatocyte growth factor receptor


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MET


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase NEK6


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of NEK6


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of P38alpha


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PAK 4


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PAK4


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK1/cyclin B


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361095
PNG
(CHEMBL1933580)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MAP-KAPK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
MAP kinase-activated protein kinase 2


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MAP-KAPK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361095
PNG
(CHEMBL1933580)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361096
PNG
(CHEMBL1933585)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361098
PNG
(CHEMBL1933581)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Show InChI InChI=1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of KIT


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
40S ribosomal protein S27


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
cAMP-dependent protein kinase (PKA)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PKAalpha


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of JAK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin E


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK4/cyclin D1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Focal adhesion kinase 1/vascular endothelial growth factor receptor 3


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CHK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361096
PNG
(CHEMBL1933585)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of AKT1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDC7


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Glycogen synthase kinase-3 beta


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of GSK3-beta


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50361098
PNG
(CHEMBL1933581)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Show InChI InChI=1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361091
PNG
(CHEMBL1933578)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCNCC2)n1)C(N)=O
Show InChI InChI=1S/C21H22F3N7O2/c1-30-12-13(19(25)32)10-17(30)15-4-5-27-20(28-15)29-16-11-14(31-8-6-26-7-9-31)2-3-18(16)33-21(22,23)24/h2-5,10-12,26H,6-9H2,1H3,(H2,25,32)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361094
PNG
(CHEMBL1933579)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCO)C(N)=O)c1
Show InChI InChI=1S/C23H26F3N7O3/c1-31-6-8-32(9-7-31)16-2-3-20(36-23(24,25)26)18(13-16)30-22-28-5-4-17(29-22)19-12-15(21(27)35)14-33(19)10-11-34/h2-5,12-14,34H,6-11H2,1H3,(H2,27,35)(H,28,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361095
PNG
(CHEMBL1933580)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CCOC2CCCCO2)C(N)=O)c1
Show InChI InChI=1S/C28H34F3N7O4/c1-36-9-11-37(12-10-36)20-5-6-24(42-28(29,30)31)22(17-20)35-27-33-8-7-21(34-27)23-16-19(26(32)39)18-38(23)13-15-41-25-4-2-3-14-40-25/h5-8,16-18,25H,2-4,9-15H2,1H3,(H2,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361097
PNG
(CHEMBL1933575)
Show SMILES NC(=O)c1c[nH]c(c1)-c1ccnc(N)n1
Show InChI InChI=1S/C9H9N5O/c10-8(15)5-3-7(13-4-5)6-1-2-12-9(11)14-6/h1-4,13H,(H2,10,15)(H2,11,12,14)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50361098
PNG
(CHEMBL1933581)
Show SMILES Cn1cc(cc1-c1ccnc(Nc2cc(ccc2OC(F)(F)F)N2CCN(CC2)C(=O)OC(C)(C)C)n1)C(N)=O
Show InChI InChI=1S/C26H30F3N7O4/c1-25(2,3)40-24(38)36-11-9-35(10-12-36)17-5-6-21(39-26(27,28)29)19(14-17)33-23-31-8-7-18(32-23)20-13-16(22(30)37)15-34(20)4/h5-8,13-15H,9-12H2,1-4H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM27351
PNG
(2-(2-aminopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3...)
Show SMILES Nc1nccc(n1)-c1cc2c(CCNC2=O)[nH]1
Show InChI InChI=1S/C11H11N5O/c12-11-14-4-2-8(16-11)9-5-6-7(15-9)1-3-13-10(6)17/h2,4-5,15H,1,3H2,(H,13,17)(H2,12,14,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
High affinity nerve growth factor receptor


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of TRKA


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Insulin receptor


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IR


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 5 regulatory subunit 1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK5/P25


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of ERK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of FGFR1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361090
PNG
(CHEMBL1933577)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Lck


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of LCK


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase MST4


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MST4


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361093
PNG
(CHEMBL1933584)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aurora-B


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
CDK2/Cyclin A/Cyclin A1


(Homo sapiens (Human))
BDBM50361093
PNG
(CHEMBL1933584)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CCO)c1
Show InChI InChI=1S/C25H28F3N7O3/c1-33-8-10-34(11-9-33)16-2-3-22(38-25(26,27)28)19(14-16)32-24-30-6-4-18(31-24)21-15-17-20(35(21)12-13-36)5-7-29-23(17)37/h2-4,6,14-15,36H,5,7-13H2,1H3,(H,29,37)(H,30,31,32)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/cyclin A


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of c-ABL


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of c-ABL


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BRK


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of BRK


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Insulin-like growth factor I receptor


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of IGFR1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
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))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of VEGFR2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361090
PNG
(CHEMBL1933577)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2CC(F)(F)F)C(N)=O)c1
Show InChI InChI=1S/C23H23F6N7O2/c1-34-6-8-35(9-7-34)15-2-3-19(38-23(27,28)29)17(11-15)33-21-31-5-4-16(32-21)18-10-14(20(30)37)12-36(18)13-22(24,25)26/h2-5,10-12H,6-9,13H2,1H3,(H2,30,37)(H,31,32,33)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK2


(Homo sapiens (Human))
BDBM50361092
PNG
(CHEMBL1933583)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2CC(F)(F)F)c1
Show InChI InChI=1S/C25H25F6N7O2/c1-36-8-10-37(11-9-36)15-2-3-21(40-25(29,30)31)18(12-15)35-23-33-6-4-17(34-23)20-13-16-19(5-7-32-22(16)39)38(20)14-24(26,27)28/h2-4,6,12-13H,5,7-11,14H2,1H3,(H,32,39)(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK2


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK3


(Homo sapiens (Human))
BDBM50361096
PNG
(CHEMBL1933585)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCN(C(=O)OC(C)(C)C)C3=O)n2C)c1
Show InChI InChI=1S/C29H34F3N7O4/c1-28(2,3)43-27(41)39-11-9-22-19(25(39)40)17-23(37(22)5)20-8-10-33-26(34-20)35-21-16-18(38-14-12-36(4)13-15-38)6-7-24(21)42-29(30,31)32/h6-8,10,16-17H,9,11-15H2,1-5H3,(H,33,34,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK3


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50361089
PNG
(CHEMBL1933576)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc(cn2C)C(N)=O)c1
Show InChI InChI=1S/C22H24F3N7O2/c1-30-7-9-32(10-8-30)15-3-4-19(34-22(23,24)25)17(12-15)29-21-27-6-5-16(28-21)18-11-14(20(26)33)13-31(18)2/h3-6,11-13H,7-10H2,1-2H3,(H2,26,33)(H,27,28,29)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PDK1


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
PKC alpha and beta-2


(Homo sapiens (Human))
BDBM50361088
PNG
(CHEMBL1933582)
Show SMILES CN1CCN(CC1)c1ccc(OC(F)(F)F)c(Nc2nccc(n2)-c2cc3c(CCNC3=O)n2C)c1
Show InChI InChI=1S/C24H26F3N7O2/c1-32-9-11-34(12-10-32)15-3-4-21(36-24(25,26)27)18(13-15)31-23-29-7-5-17(30-23)20-14-16-19(33(20)2)6-8-28-22(16)35/h3-5,7,13-14H,6,8-12H2,1-2H3,(H,28,35)(H,29,30,31)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PKCbeta


Bioorg Med Chem Lett 22: 96-101 (2011)


Article DOI: 10.1016/j.bmcl.2011.11.065
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%