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PubMed code 21723120

Compile data set for download or QSAR
Found 100 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
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 2n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50318085
PNG
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50318085
PNG
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM31533
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 16)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 19n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349092
PNG
(CHEMBL1807303)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-7-22-10-9-11-23(8-2)30(22)39-34(45)32-27-14-12-25-21-37-36(40-31(25)33(27)43(5)41-32)38-28-15-13-24(20-29(28)47-6)35(46)44-18-16-26(17-19-44)42(3)4/h9-11,13,15,20-21,26H,7-8,12,14,16-19H2,1-6H3,(H,39,45)(H,37,38,40)
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n/an/a 19n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349094
PNG
(CHEMBL1807305)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)
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n/an/a 21n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349103
PNG
(CHEMBL1808341)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H40N8O3/c1-7-20-10-9-11-21(8-2)27(20)37-32(43)29-24-14-12-23-19-35-33(38-28(23)30(24)41(5)39-29)36-25-15-13-22(18-26(25)44-6)31(42)34-16-17-40(3)4/h9-11,13,15,18-19H,7-8,12,14,16-17H2,1-6H3,(H,34,42)(H,37,43)(H,35,36,38)
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n/an/a 33n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349099
PNG
(CHEMBL1808338)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
Show InChI InChI=1S/C29H31N7O3/c1-5-16-8-7-9-17(6-2)23(16)33-28(38)25-20-12-10-19-15-31-29(34-24(19)26(20)36(3)35-25)32-21-13-11-18(27(30)37)14-22(21)39-4/h7-9,11,13-15H,5-6,10,12H2,1-4H3,(H2,30,37)(H,33,38)(H,31,32,34)
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n/an/a 36n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50318081
PNG
(8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O2/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 42n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 50n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50318081
PNG
(8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O2/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 66n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 68n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349090
PNG
(CHEMBL1807301)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m0/s1
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n/an/a 72n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349101
PNG
(CHEMBL1808340)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)
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n/an/a 84n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50318081
PNG
(8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O2/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 90n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349105
PNG
(CHEMBL1808343)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1
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n/an/a 103n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50329932
PNG
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25)
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n/an/a 117n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349104
PNG
(CHEMBL1808342)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H37F3N8O3/c1-6-19-9-8-10-20(7-2)26(19)40-31(46)28-23-13-11-22-18-38-32(41-27(22)29(23)44(5)42-28)39-24-14-12-21(17-25(24)47-33(34,35)36)30(45)37-15-16-43(3)4/h8-10,12,14,17-18H,6-7,11,13,15-16H2,1-5H3,(H,37,45)(H,40,46)(H,38,39,41)
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n/an/a 130n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349100
PNG
(CHEMBL1808339)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)
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n/an/a 140n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349095
PNG
(CHEMBL1807306)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-21-9-7-10-22(6-2)28(21)41-32(47)30-25-13-11-24-20-39-34(42-29(24)31(25)45(4)43-30)40-26-14-12-23(19-27(26)49-35(36,37)38)33(48)46-16-8-15-44(3)17-18-46/h7,9-10,12,14,19-20H,5-6,8,11,13,15-18H2,1-4H3,(H,41,47)(H,39,40,42)
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n/an/a 146n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349096
PNG
(CHEMBL1808334)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C27H28N6O/c1-4-17-10-9-11-18(5-2)22(17)30-26(34)24-21-15-14-19-16-28-27(29-20-12-7-6-8-13-20)31-23(19)25(21)33(3)32-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,34)(H,28,29,31)
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n/an/a 152n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349102
PNG
(CHEMBL1236095)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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n/an/a 182n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349091
PNG
(CHEMBL1807302)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m0/s1
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n/an/a 202n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349093
PNG
(CHEMBL1807304)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-6-21-9-8-10-22(7-2)29(21)42-33(48)31-26-13-11-24-20-40-35(43-30(24)32(26)46(5)44-31)41-27-14-12-23(19-28(27)50-36(37,38)39)34(49)47-17-15-25(16-18-47)45(3)4/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,42,48)(H,40,41,43)
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n/an/a 206n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349101
PNG
(CHEMBL1808340)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)
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n/an/a 237n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50318085
PNG
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 241n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31533
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 16)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 312n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349094
PNG
(CHEMBL1807305)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)
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n/an/a 372n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31538
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 21)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C24H22N6O/c1-30-22-19(21(29-30)23(31)25-14-16-8-4-2-5-9-16)13-12-17-15-26-24(28-20(17)22)27-18-10-6-3-7-11-18/h2-11,15H,12-14H2,1H3,(H,25,31)(H,26,27,28)
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n/an/a 374n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349106
PNG
(CHEMBL1807300)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m1/s1
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n/an/a 391n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349092
PNG
(CHEMBL1807303)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-7-22-10-9-11-23(8-2)30(22)39-34(45)32-27-14-12-25-21-37-36(40-31(25)33(27)43(5)41-32)38-28-15-13-24(20-29(28)47-6)35(46)44-18-16-26(17-19-44)42(3)4/h9-11,13,15,20-21,26H,7-8,12,14,16-19H2,1-6H3,(H,39,45)(H,37,38,40)
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n/an/a 484n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349090
PNG
(CHEMBL1807301)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m0/s1
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n/an/a 491n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31532
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 1)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C17H16N6O/c1-23-15-12(14(22-23)16(18)24)8-7-10-9-19-17(21-13(10)15)20-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,18,24)(H,19,20,21)
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n/an/a 500n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349097
PNG
(CHEMBL1808336)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
Show InChI InChI=1S/C28H30N6O2/c1-5-17-10-9-11-18(6-2)23(17)31-27(35)25-20-15-14-19-16-29-28(32-24(19)26(20)34(3)33-25)30-21-12-7-8-13-22(21)36-4/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,35)(H,29,30,32)
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n/an/a 525n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349096
PNG
(CHEMBL1808334)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C27H28N6O/c1-4-17-10-9-11-18(5-2)22(17)30-26(34)24-21-15-14-19-16-28-27(29-20-12-7-6-8-13-20)31-23(19)25(21)33(3)32-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,34)(H,28,29,31)
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n/an/a 530n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM31537
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 20)
Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
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n/an/a 574n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318085
PNG
(1-Methyl-8-[(2-methylphenyl)amino]-4,5-dihydro-1H-...)
Show SMILES Cc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O/c1-10-5-3-4-6-13(10)21-18-20-9-11-7-8-12-15(17(19)25)23-24(2)16(12)14(11)22-18/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 605n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50318081
PNG
(8-[(2-Methoxyphenyl)amino]-1-methyl-4,5-dihydro-1H...)
Show SMILES COc1ccccc1Nc1ncc2CCc3c(nn(C)c3-c2n1)C(N)=O
Show InChI InChI=1S/C18H18N6O2/c1-24-16-11(15(23-24)17(19)25)8-7-10-9-20-18(22-14(10)16)21-12-5-3-4-6-13(12)26-2/h3-6,9H,7-8H2,1-2H3,(H2,19,25)(H,20,21,22)
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n/an/a 607n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349107
PNG
(CHEMBL1808335)
Show SMILES Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29)
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n/an/a 677n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349107
PNG
(CHEMBL1808335)
Show SMILES Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29)
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n/an/a 697n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349103
PNG
(CHEMBL1808341)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H40N8O3/c1-7-20-10-9-11-21(8-2)27(20)37-32(43)29-24-14-12-23-19-35-33(38-28(23)30(24)41(5)39-29)36-25-15-13-22(18-26(25)44-6)31(42)34-16-17-40(3)4/h9-11,13,15,18-19H,7-8,12,14,16-17H2,1-6H3,(H,34,42)(H,37,43)(H,35,36,38)
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n/an/a 750n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349099
PNG
(CHEMBL1808338)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
Show InChI InChI=1S/C29H31N7O3/c1-5-16-8-7-9-17(6-2)23(16)33-28(38)25-20-12-10-19-15-31-29(34-24(19)26(20)36(3)35-25)32-21-13-11-18(27(30)37)14-22(21)39-4/h7-9,11,13-15H,5-6,10,12H2,1-4H3,(H2,30,37)(H,33,38)(H,31,32,34)
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n/an/a 768n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349098
PNG
(CHEMBL1808337)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
Show InChI InChI=1S/C28H27F3N6O2/c1-4-16-9-8-10-17(5-2)22(16)34-26(38)24-19-14-13-18-15-32-27(35-23(18)25(19)37(3)36-24)33-20-11-6-7-12-21(20)39-28(29,30)31/h6-12,15H,4-5,13-14H2,1-3H3,(H,34,38)(H,32,33,35)
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n/an/a 823n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM31538
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 21)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C24H22N6O/c1-30-22-19(21(29-30)23(31)25-14-16-8-4-2-5-9-16)13-12-17-15-26-24(28-20(17)22)27-18-10-6-3-7-11-18/h2-11,15H,12-14H2,1H3,(H,25,31)(H,26,27,28)
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n/an/a 1.05E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50329932
PNG
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25)
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n/an/a 1.22E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349105
PNG
(CHEMBL1808343)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1
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n/an/a 1.38E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349104
PNG
(CHEMBL1808342)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H37F3N8O3/c1-6-19-9-8-10-20(7-2)26(19)40-31(46)28-23-13-11-22-18-38-32(41-27(22)29(23)44(5)42-28)39-24-14-12-21(17-25(24)47-33(34,35)36)30(45)37-15-16-43(3)4/h8-10,12,14,17-18H,6-7,11,13,15-16H2,1-5H3,(H,37,45)(H,40,46)(H,38,39,41)
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n/an/a 1.38E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349101
PNG
(CHEMBL1808340)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)
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n/an/a 1.45E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349103
PNG
(CHEMBL1808341)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H40N8O3/c1-7-20-10-9-11-21(8-2)27(20)37-32(43)29-24-14-12-23-19-35-33(38-28(23)30(24)41(5)39-29)36-25-15-13-22(18-26(25)44-6)31(42)34-16-17-40(3)4/h9-11,13,15,18-19H,7-8,12,14,16-17H2,1-6H3,(H,34,42)(H,37,43)(H,35,36,38)
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n/an/a 1.65E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31533
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 16)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 2.17E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349099
PNG
(CHEMBL1808338)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
Show InChI InChI=1S/C29H31N7O3/c1-5-16-8-7-9-17(6-2)23(16)33-28(38)25-20-12-10-19-15-31-29(34-24(19)26(20)36(3)35-25)32-21-13-11-18(27(30)37)14-22(21)39-4/h7-9,11,13-15H,5-6,10,12H2,1-4H3,(H2,30,37)(H,33,38)(H,31,32,34)
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n/an/a 3.03E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349097
PNG
(CHEMBL1808336)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
Show InChI InChI=1S/C28H30N6O2/c1-5-17-10-9-11-18(6-2)23(17)31-27(35)25-20-15-14-19-16-29-28(32-24(19)26(20)34(3)33-25)30-21-12-7-8-13-22(21)36-4/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,35)(H,29,30,32)
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n/an/a 3.17E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349094
PNG
(CHEMBL1807305)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)
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n/an/a 3.63E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM31533
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 16)
Show SMILES CNC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C18H18N6O/c1-19-17(25)15-13-9-8-11-10-20-18(21-12-6-4-3-5-7-12)22-14(11)16(13)24(2)23-15/h3-7,10H,8-9H2,1-2H3,(H,19,25)(H,20,21,22)
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n/an/a 4.22E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349099
PNG
(CHEMBL1808338)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(N)=O)nc-21
Show InChI InChI=1S/C29H31N7O3/c1-5-16-8-7-9-17(6-2)23(16)33-28(38)25-20-12-10-19-15-31-29(34-24(19)26(20)36(3)35-25)32-21-13-11-18(27(30)37)14-22(21)39-4/h7-9,11,13-15H,5-6,10,12H2,1-4H3,(H2,30,37)(H,33,38)(H,31,32,34)
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n/an/a 5.57E+3n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349090
PNG
(CHEMBL1807301)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m0/s1
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349100
PNG
(CHEMBL1808339)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349097
PNG
(CHEMBL1808336)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
Show InChI InChI=1S/C28H30N6O2/c1-5-17-10-9-11-18(6-2)23(17)31-27(35)25-20-15-14-19-16-29-28(32-24(19)26(20)34(3)33-25)30-21-12-7-8-13-22(21)36-4/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,35)(H,29,30,32)
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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 PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31537
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 20)
Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
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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 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349098
PNG
(CHEMBL1808337)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
Show InChI InChI=1S/C28H27F3N6O2/c1-4-16-9-8-10-17(5-2)22(16)34-26(38)24-19-14-13-18-15-32-27(35-23(18)25(19)37(3)36-24)33-20-11-6-7-12-21(20)39-28(29,30)31/h6-12,15H,4-5,13-14H2,1-3H3,(H,34,38)(H,32,33,35)
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349102
PNG
(CHEMBL1236095)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349095
PNG
(CHEMBL1807306)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-21-9-7-10-22(6-2)28(21)41-32(47)30-25-13-11-24-20-39-34(42-29(24)31(25)45(4)43-30)40-26-14-12-23(19-27(26)49-35(36,37)38)33(48)46-16-8-15-44(3)17-18-46/h7,9-10,12,14,19-20H,5-6,8,11,13,15-18H2,1-4H3,(H,41,47)(H,39,40,42)
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349096
PNG
(CHEMBL1808334)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C27H28N6O/c1-4-17-10-9-11-18(5-2)22(17)30-26(34)24-21-15-14-19-16-28-27(29-20-12-7-6-8-13-20)31-23(19)25(21)33(3)32-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,34)(H,28,29,31)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349101
PNG
(CHEMBL1808340)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-21-9-8-10-22(7-2)29(21)39-34(45)31-26-13-11-24-20-36-35(40-30(24)32(26)43(4)41-31)38-27-14-12-23(19-28(27)46-5)33(44)37-25-15-17-42(3)18-16-25/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,37,44)(H,39,45)(H,36,38,40)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349093
PNG
(CHEMBL1807304)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-6-21-9-8-10-22(7-2)29(21)42-33(48)31-26-13-11-24-20-40-35(43-30(24)32(26)46(5)44-31)41-27-14-12-23(19-28(27)50-36(37,38)39)34(49)47-17-15-25(16-18-47)45(3)4/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,42,48)(H,40,41,43)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349095
PNG
(CHEMBL1807306)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-21-9-7-10-22(6-2)28(21)41-32(47)30-25-13-11-24-20-39-34(42-29(24)31(25)45(4)43-30)40-26-14-12-23(19-27(26)49-35(36,37)38)33(48)46-16-8-15-44(3)17-18-46/h7,9-10,12,14,19-20H,5-6,8,11,13,15-18H2,1-4H3,(H,41,47)(H,39,40,42)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349107
PNG
(CHEMBL1808335)
Show SMILES Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(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 PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349105
PNG
(CHEMBL1808343)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349106
PNG
(CHEMBL1807300)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m1/s1
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349093
PNG
(CHEMBL1807304)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-6-21-9-8-10-22(7-2)29(21)42-33(48)31-26-13-11-24-20-40-35(43-30(24)32(26)46(5)44-31)41-27-14-12-23(19-28(27)50-36(37,38)39)34(49)47-17-15-25(16-18-47)45(3)4/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,42,48)(H,40,41,43)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349106
PNG
(CHEMBL1807300)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m1/s1
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349092
PNG
(CHEMBL1807303)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-7-22-10-9-11-23(8-2)30(22)39-34(45)32-27-14-12-25-21-37-36(40-31(25)33(27)43(5)41-32)38-28-15-13-24(20-29(28)47-6)35(46)44-18-16-26(17-19-44)42(3)4/h9-11,13,15,20-21,26H,7-8,12,14,16-19H2,1-6H3,(H,39,45)(H,37,38,40)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349097
PNG
(CHEMBL1808336)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC)nc-21
Show InChI InChI=1S/C28H30N6O2/c1-5-17-10-9-11-18(6-2)23(17)31-27(35)25-20-15-14-19-16-29-28(32-24(19)26(20)34(3)33-25)30-21-12-7-8-13-22(21)36-4/h7-13,16H,5-6,14-15H2,1-4H3,(H,31,35)(H,29,30,32)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM31537
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 20)
Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM31538
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 21)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C24H22N6O/c1-30-22-19(21(29-30)23(31)25-14-16-8-4-2-5-9-16)13-12-17-15-26-24(28-20(17)22)27-18-10-6-3-7-11-18/h2-11,15H,12-14H2,1H3,(H,25,31)(H,26,27,28)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349093
PNG
(CHEMBL1807304)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H41F3N8O3/c1-6-21-9-8-10-22(7-2)29(21)42-33(48)31-26-13-11-24-20-40-35(43-30(24)32(26)46(5)44-31)41-27-14-12-23(19-28(27)50-36(37,38)39)34(49)47-17-15-25(16-18-47)45(3)4/h8-10,12,14,19-20,25H,6-7,11,13,15-18H2,1-5H3,(H,42,48)(H,40,41,43)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349096
PNG
(CHEMBL1808334)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3)nc-21
Show InChI InChI=1S/C27H28N6O/c1-4-17-10-9-11-18(5-2)22(17)30-26(34)24-21-15-14-19-16-28-27(29-20-12-7-6-8-13-20)31-23(19)25(21)33(3)32-24/h6-13,16H,4-5,14-15H2,1-3H3,(H,30,34)(H,28,29,31)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349104
PNG
(CHEMBL1808342)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H37F3N8O3/c1-6-19-9-8-10-20(7-2)26(19)40-31(46)28-23-13-11-22-18-38-32(41-27(22)29(23)44(5)42-28)39-24-14-12-21(17-25(24)47-33(34,35)36)30(45)37-15-16-43(3)4/h8-10,12,14,17-18H,6-7,11,13,15-16H2,1-5H3,(H,37,45)(H,40,46)(H,38,39,41)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349090
PNG
(CHEMBL1807301)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m0/s1
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349094
PNG
(CHEMBL1807305)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H42N8O3/c1-6-22-10-8-11-23(7-2)29(22)38-33(44)31-26-14-12-25-21-36-35(39-30(25)32(26)42(4)40-31)37-27-15-13-24(20-28(27)46-5)34(45)43-17-9-16-41(3)18-19-43/h8,10-11,13,15,20-21H,6-7,9,12,14,16-19H2,1-5H3,(H,38,44)(H,36,37,39)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50329932
PNG
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM31537
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 20)
Show SMILES Cn1nc(C(=O)Nc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C23H20N6O/c1-29-21-18(20(28-29)22(30)25-16-8-4-2-5-9-16)13-12-15-14-24-23(27-19(15)21)26-17-10-6-3-7-11-17/h2-11,14H,12-13H2,1H3,(H,25,30)(H,24,26,27)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349103
PNG
(CHEMBL1808341)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H40N8O3/c1-7-20-10-9-11-21(8-2)27(20)37-32(43)29-24-14-12-23-19-35-33(38-28(23)30(24)41(5)39-29)36-25-15-13-22(18-26(25)44-6)31(42)34-16-17-40(3)4/h9-11,13,15,18-19H,7-8,12,14,16-17H2,1-6H3,(H,34,42)(H,37,43)(H,35,36,38)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349098
PNG
(CHEMBL1808337)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
Show InChI InChI=1S/C28H27F3N6O2/c1-4-16-9-8-10-17(5-2)22(16)34-26(38)24-19-14-13-18-15-32-27(35-23(18)25(19)37(3)36-24)33-20-11-6-7-12-21(20)39-28(29,30)31/h6-12,15H,4-5,13-14H2,1-3H3,(H,34,38)(H,32,33,35)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of PLK1 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349102
PNG
(CHEMBL1236095)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349091
PNG
(CHEMBL1807302)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m0/s1
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349092
PNG
(CHEMBL1807303)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC(CC3)N(C)C)nc-21
Show InChI InChI=1S/C36H44N8O3/c1-7-22-10-9-11-23(8-2)30(22)39-34(45)32-27-14-12-25-21-37-36(40-31(25)33(27)43(5)41-32)38-28-15-13-24(20-29(28)47-6)35(46)44-18-16-26(17-19-44)42(3)4/h9-11,13,15,20-21,26H,7-8,12,14,16-19H2,1-6H3,(H,39,45)(H,37,38,40)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349095
PNG
(CHEMBL1807306)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-21-9-7-10-22(6-2)28(21)41-32(47)30-25-13-11-24-20-39-34(42-29(24)31(25)45(4)43-30)40-26-14-12-23(19-27(26)49-35(36,37)38)33(48)46-16-8-15-44(3)17-18-46/h7,9-10,12,14,19-20H,5-6,8,11,13,15-18H2,1-4H3,(H,41,47)(H,39,40,42)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349106
PNG
(CHEMBL1807300)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m1/s1
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50329932
PNG
(1-methyl-8-(2-(trifluoromethoxy)phenylamino)-4,5-d...)
Show SMILES Cn1nc(C(N)=O)c2CCc3cnc(Nc4ccccc4OC(F)(F)F)nc3-c12
Show InChI InChI=1S/C18H15F3N6O2/c1-27-15-10(14(26-27)16(22)28)7-6-9-8-23-17(25-13(9)15)24-11-4-2-3-5-12(11)29-18(19,20)21/h2-5,8H,6-7H2,1H3,(H2,22,28)(H,23,24,25)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349105
PNG
(CHEMBL1808343)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC)C(=O)N3CCC[C@@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H46N8O3/c1-5-24-11-9-12-25(6-2)32(24)41-36(47)34-29-16-14-27-22-39-38(42-33(27)35(29)44(3)43-34)40-30-17-15-26(21-31(30)49-4)37(48)46-20-10-13-28(46)23-45-18-7-8-19-45/h9,11-12,15,17,21-22,28H,5-8,10,13-14,16,18-20,23H2,1-4H3,(H,41,47)(H,39,40,42)/t28-/m1/s1
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Aurora kinase A


(Homo sapiens (Human))
BDBM50349091
PNG
(CHEMBL1807302)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m0/s1
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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 Aur-A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349098
PNG
(CHEMBL1808337)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccccc3OC(F)(F)F)nc-21
Show InChI InChI=1S/C28H27F3N6O2/c1-4-16-9-8-10-17(5-2)22(16)34-26(38)24-19-14-13-18-15-32-27(35-23(18)25(19)37(3)36-24)33-20-11-6-7-12-21(20)39-28(29,30)31/h6-12,15H,4-5,13-14H2,1-3H3,(H,34,38)(H,32,33,35)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349100
PNG
(CHEMBL1808339)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349102
PNG
(CHEMBL1236095)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NC3CCN(C)CC3)nc-21
Show InChI InChI=1S/C35H39F3N8O3/c1-5-20-8-7-9-21(6-2)28(20)42-33(48)30-25-12-10-23-19-39-34(43-29(23)31(25)46(4)44-30)41-26-13-11-22(18-27(26)49-35(36,37)38)32(47)40-24-14-16-45(3)17-15-24/h7-9,11,13,18-19,24H,5-6,10,12,14-17H2,1-4H3,(H,40,47)(H,42,48)(H,39,41,43)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349104
PNG
(CHEMBL1808342)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)NCCN(C)C)nc-21
Show InChI InChI=1S/C33H37F3N8O3/c1-6-19-9-8-10-20(7-2)26(19)40-31(46)28-23-13-11-22-18-38-32(41-27(22)29(23)44(5)42-28)39-24-14-12-21(17-25(24)47-33(34,35)36)30(45)37-15-16-43(3)4/h8-10,12,14,17-18H,6-7,11,13,15-16H2,1-5H3,(H,37,45)(H,40,46)(H,38,39,41)
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Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of CDK2/Cyclin A assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM50349091
PNG
(CHEMBL1807302)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(=O)N3CCC[C@H]3CN3CCCC3)nc-21 |r|
Show InChI InChI=1S/C38H43F3N8O3/c1-4-23-10-8-11-24(5-2)31(23)44-35(50)33-28-15-13-26-21-42-37(45-32(26)34(28)47(3)46-33)43-29-16-14-25(20-30(29)52-38(39,40)41)36(51)49-19-9-12-27(49)22-48-17-6-7-18-48/h8,10-11,14,16,20-21,27H,4-7,9,12-13,15,17-19,22H2,1-3H3,(H,44,50)(H,42,43,45)/t27-/m0/s1
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase PLK1


(Homo sapiens (Human))
BDBM50349100
PNG
(CHEMBL1808339)
Show SMILES CCc1cccc(CC)c1NC(=O)c1nn(C)c-2c1CCc1cnc(Nc3ccc(cc3OC(F)(F)F)C(N)=O)nc-21
Show InChI InChI=1S/C29H28F3N7O3/c1-4-15-7-6-8-16(5-2)22(15)36-27(41)24-19-11-9-18-14-34-28(37-23(18)25(19)39(3)38-24)35-20-12-10-17(26(33)40)13-21(20)42-29(30,31)32/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H2,33,40)(H,36,41)(H,34,35,37)
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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 assessed as [33P]-gamma-ATP incorporation into substrate by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM31538
PNG
(pyrazolo[4,3-h]quinazoline-3-carboxamide, 21)
Show SMILES Cn1nc(C(=O)NCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C24H22N6O/c1-30-22-19(21(29-30)23(31)25-14-16-8-4-2-5-9-16)13-12-17-15-26-24(28-20(17)22)27-18-10-6-3-7-11-18/h2-11,15H,12-14H2,1H3,(H,25,31)(H,26,27,28)
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n/an/a>1.10E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50349107
PNG
(CHEMBL1808335)
Show SMILES Cn1nc(C(=O)NCCc2ccccc2)c2CCc3cnc(Nc4ccccc4)nc3-c12
Show InChI InChI=1S/C25H24N6O/c1-31-23-20(22(30-31)24(32)26-15-14-17-8-4-2-5-9-17)13-12-18-16-27-25(29-21(18)23)28-19-10-6-3-7-11-19/h2-11,16H,12-15H2,1H3,(H,26,32)(H,27,28,29)
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n/an/a>1.20E+4n/an/an/an/an/an/a



Nerviano Medical Sciences srl

Curated by ChEMBL


Assay Description
Inhibition of MPS1 assessed as [33P]-gamma-ATP incorporation into substrate P38-betatide by gamma counting


Bioorg Med Chem Lett 21: 4507-11 (2011)


Article DOI: 10.1016/j.bmcl.2011.05.122
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%