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Patent code US10829490

Compile Data Set for Download or QSAR
Found 71 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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n/an/a 1.80E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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n/an/a 2.60E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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n/an/a 3.50E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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n/an/a 4.10E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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n/an/a 4.70E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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n/an/a 8.06E+3n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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n/an/a 1.44E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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n/an/a 3.06E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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n/an/a 4.77E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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n/an/a 5.04E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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n/an/a 7.59E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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n/an/a 8.64E+4n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472683
PNG
(N-(5-(4-methylpiperazin-1- yl)pyridin-2-yl)-8',9'-...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C=CC4=NCCC5(CCCCC5)N4c3n2)nc1
Show InChI InChI=1S/C25H32N8/c1-31-13-15-32(16-14-31)20-6-7-21(27-18-20)29-24-28-17-19-5-8-22-26-12-11-25(9-3-2-4-10-25)33(22)23(19)30-24/h5-8,17-18H,2-4,9-16H2,1H3,(H,27,28,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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TBA

Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472682
PNG
(US10829490, Cmpd # 8 | ethyl 2-((5-(4-methylpipera...)
Show SMILES CCOC(=O)C1C2CCCCN2c2nc(Nc3ccc(cn3)N3CCN(C)CC3)ncc2C1=O
Show InChI InChI=1S/C24H31N7O3/c1-3-34-23(33)20-18-6-4-5-9-31(18)22-17(21(20)32)15-26-24(28-22)27-19-8-7-16(14-25-19)30-12-10-29(2)11-13-30/h7-8,14-15,18,20H,3-6,9-13H2,1-2H3,(H,25,26,27,28)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472673
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H28N8O2/c1-22(2)13-25-20(32)16-10-17(31)15-12-24-21(27-19(15)30(16)22)26-18-5-4-14(11-23-18)29-8-6-28(3)7-9-29/h4-5,11-12,16H,6-10,13H2,1-3H3,(H,25,32)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472680
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(CCNC4=O)c3n2)nc1
Show InChI InChI=1S/C20H24N8O2/c1-26-6-8-27(9-7-26)13-2-3-17(22-11-13)24-20-23-12-14-16(29)10-15-19(30)21-4-5-28(15)18(14)25-20/h2-3,11-12,15H,4-10H2,1H3,(H,21,30)(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 2 (CDK2)


(Homo sapiens (Human))
BDBM472674
PNG
(10,10-dimethyl-2-((5-(4- methylpiperazin-1-yl)pyri...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C(C)(C)CNC4=O)nc1
Show InChI InChI=1S/C22H30N8O/c1-22(2)14-25-20(31)17-6-4-15-12-24-21(27-19(15)30(17)22)26-18-7-5-16(13-23-18)29-10-8-28(3)9-11-29/h5,7,12-13,17H,4,6,8-11,14H2,1-3H3,(H,25,31)(H,23,24,26,27)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 6 (CDK6)


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472675
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H32N8O2/c1-31-9-11-32(12-10-31)17-5-6-21(26-14-17)29-24-27-15-18-20(34)13-19-23(35)28-16-25(7-3-2-4-8-25)33(19)22(18)30-24/h5-6,14-15,19H,2-4,7-13,16H2,1H3,(H,28,35)(H,26,27,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 4 (CDK4)


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM472678
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4N(c3n2)C2(CCCC2)CNC4=O)nc1
Show InChI InChI=1S/C24H30N8O2/c1-30-8-10-31(11-9-30)16-4-5-20(25-13-16)28-23-26-14-17-19(33)12-18-22(34)27-15-24(6-2-3-7-24)32(18)21(17)29-23/h4-5,13-14,18H,2-3,6-12,15H2,1H3,(H,27,34)(H,25,26,28,29)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472677
PNG
(2'-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3CCC4N(c3n2)C2(CCCCC2)CNC4=O)nc1
Show InChI InChI=1S/C25H34N8O/c1-31-11-13-32(14-12-31)19-6-8-21(26-16-19)29-24-27-15-18-5-7-20-23(34)28-17-25(9-3-2-4-10-25)33(20)22(18)30-24/h6,8,15-16,20H,2-5,7,9-14,17H2,1H3,(H,28,34)(H,26,27,29,30)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


Citation and Details
More data for this
Ligand-Target Pair
CDK7/CycH/MAT1


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 9 (CDK9)


(Homo sapiens (Human))
BDBM472681
PNG
(2-((5-(4-methylpiperazin-1- yl)pyridin-2-yl)amino)...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3C(=O)CC4CCCCN4c3n2)nc1
Show InChI InChI=1S/C21H27N7O/c1-26-8-10-27(11-9-26)16-5-6-19(22-13-16)24-21-23-14-17-18(29)12-15-4-2-3-7-28(15)20(17)25-21/h5-6,13-15H,2-4,7-12H2,1H3,(H,22,23,24,25)
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Assay Description
Selected compounds disclosed herein were tested in CDK4/cyclinD1, CDK2/CycA and CDK2/cyclinE kinase assays by Nanosyn (Santa Clara, Calif.) to determ...


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