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Patent code US8957074

Compile Data Set for Download or QSAR

Found 298 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 4


(Homo sapiens (Human))		BDBM146964
PNG
(US8957074, 3)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-18-14-30-27(32-24(18)35(22)20-7-5-3-4-6-8-20)31-23-10-9-17(13-29-23)25(36)34-16-19-12-21(34)15-28-19/h9-11,13-14,19-21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)
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US Patent
n/an/a 1n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147027
PNG
(US8957074, 67)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC3CN4)nc2n1C1CCCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-17-13-29-26(31-23(17)34(21)19-6-4-3-5-7-19)30-22-9-8-16(12-28-22)24(35)33-15-18-11-20(33)14-27-18/h8-10,12-13,18-20,27H,3-7,11,14-15H2,1-2H3,(H,28,29,30,31)
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146997
PNG
(US8957074, 36)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
Show InChI InChI=1S/C28H34N8O2/c1-34(2)27(38)23-11-19-13-30-28(33-25(19)36(23)22-10-16-3-4-17(22)9-16)32-24-8-5-18(12-29-24)26(37)35-14-20-6-7-21(15-35)31-20/h5,8,11-13,16-17,20-22,31H,3-4,6-7,9-10,14-15H2,1-2H3,(H,29,30,32,33)/t16-,17+,20?,21?,22+/m0/s1
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147014
PNG
(US8957074, 53)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C |TLB:18:20:27:23.24|
Show InChI InChI=1S/C31H36N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6-8,11-16,22-23,34H,9-10,17-18H2,1-5H3,(H,32,33,35,36)
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147041
PNG
(US8957074, 83)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCCCC1 |r|
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-17-13-30-27(32-24(17)35(22)19-7-5-3-4-6-8-19)31-23-10-9-20(14-29-23)34-16-18-12-28-15-21(18)25(34)36/h9-11,13-14,18-19,21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)/t18-,21-/m1/s1
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147049
PNG
(US8957074, 89)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)/t18-,20-/m0/s1
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147083
PNG
(US8957074, 123)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-11-16-13-28-26(31-24(16)34(21)19-5-3-4-6-19)30-22-10-9-20(14-27-22)33-15-18-8-7-17(29-18)12-23(33)35/h9-11,13-14,17-19,29H,3-8,12,15H2,1-2H3,(H,27,28,30,31)/t17-,18+/m0/s1
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147015
PNG
(US8957074, 54)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1cccc(c1)C(C)(C)C |TLB:18:20:27:23.24|
Show InChI InChI=1S/C31H36N8O2/c1-31(2,3)21-7-6-8-24(14-21)39-25(29(41)37(4)5)13-20-16-33-30(36-27(20)39)35-26-12-9-19(15-32-26)28(40)38-17-22-10-11-23(18-38)34-22/h6-9,12-16,22-23,34H,10-11,17-18H2,1-5H3,(H,32,33,35,36)
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n/an/a 3n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146965
PNG
(US8957074, 4)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCCC1
Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-13-19-15-30-28(33-25(19)36(23)22-7-5-3-4-6-8-22)32-24-12-9-18(14-29-24)26(37)35-16-20-10-11-21(17-35)31-20/h9,12-15,20-22,31H,3-8,10-11,16-17H2,1-2H3,(H,29,30,32,33)
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n/an/a 4n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147091
PNG
(US8957074, 131)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h10-12,14-15,18-20,30H,3-9,13,16H2,1-2H3,(H,28,29,31,32)
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n/an/a 4n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147042
PNG
(US8957074, 82)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCCCC1 |r|
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-11-17-13-30-27(32-24(17)35(22)19-7-5-3-4-6-8-19)31-23-10-9-20(14-29-23)34-16-18-12-28-15-21(18)25(34)36/h9-11,13-14,18-19,21,28H,3-8,12,15-16H2,1-2H3,(H,29,30,31,32)/t18-,21-/m0/s1
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n/an/a 4n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146970
PNG
(US8957074, 9)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNC(C4)C3)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-18-13-29-26(31-23(18)34(21)20-5-3-4-6-20)30-22-8-7-17(12-28-22)24(35)33-14-16-9-19(15-33)27-11-16/h7-8,10,12-13,16,19-20,27H,3-6,9,11,14-15H2,1-2H3,(H,28,29,30,31)
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n/an/a<4n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM47154
PNG
(US8957074, 81)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(9.45,-14.09,;8.68,-12.75,;10.22,-12.75,;7.91,-11.42,;8.68,-10.09,;6.37,-11.42,;5.46,-10.17,;4,-10.65,;2.67,-9.88,;1.33,-10.65,;1.33,-12.19,;-0,-12.96,;-0,-14.5,;1.33,-15.27,;1.33,-16.81,;-0,-17.58,;-1.34,-16.81,;-1.34,-15.27,;-0,-19.12,;-1.34,-19.89,;1.33,-19.89,;2.67,-19.12,;4,-19.89,;2.81,-20.08,;2.14,-21.01,;2.67,-22.2,;1.33,-21.43,;4,-21.43,;2.67,-12.96,;4,-12.19,;5.46,-12.67,;6.05,-13.75,;7.59,-13.75,;8.36,-15.08,;7.59,-16.42,;6.05,-16.42,;5.28,-15.08,;8.36,-17.75,;9.13,-19.08,;9.9,-17.75,;7.96,-19.24,)|
Show InChI InChI=1S/C31H42N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6,13-16,21-24,34H,7-12,17-18H2,1-5H3,(H,32,33,35,36)/t21-,22?,23?,24-
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n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147087
PNG
(US8957074, 127)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
Show InChI InChI=1S/C31H33N9O2/c1-31(2,18-32)20-5-9-23(10-6-20)40-25(29(42)38(3)4)13-19-15-34-30(37-28(19)40)36-26-12-11-24(16-33-26)39-17-22-8-7-21(35-22)14-27(39)41/h5-6,9-13,15-16,21-22,35H,7-8,14,17H2,1-4H3,(H,33,34,36,37)
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n/an/a 5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147048
PNG
(US8957074, 88)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCCCC1 |r|
Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)/t18-,20-/m1/s1
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n/an/a 5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147050
PNG
(US8957074, 90)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)
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n/an/a 5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147047
PNG
(US8957074, 87)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CNCC4CC3=O)nc2n1C1CCCCCC1
Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-11-19-15-31-28(33-26(19)36(23)21-7-5-3-4-6-8-21)32-24-10-9-22(16-30-24)35-17-20-14-29-13-18(20)12-25(35)37/h9-11,15-16,18,20-21,29H,3-8,12-14,17H2,1-2H3,(H,30,31,32,33)
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n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147093
PNG
(US8957074, 133)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1C1CCCCC1 |r|
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h10-12,14-15,18-20,30H,3-9,13,16H2,1-2H3,(H,28,29,31,32)/t18-,19+/m0/s1
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n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146971
PNG
(US8957074, 10)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CN[C@@H](C4)C3)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-18-13-29-26(31-23(18)34(21)20-5-3-4-6-20)30-22-8-7-17(12-28-22)24(35)33-14-16-9-19(15-33)27-11-16/h7-8,10,12-13,16,19-20,27H,3-6,9,11,14-15H2,1-2H3,(H,28,29,30,31)/t16-,19-/m0/s1
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n/an/a 5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146963
PNG
(US8957074, 2)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CNC[C@H](C3)C4O)nc2n1C1CCCCCC1 |r,TLB:18:20:24.23.25:28,29:28:24.23.25:20.21.27|
Show InChI InChI=1S/C29H38N8O3/c1-35(2)28(40)23-11-19-15-32-29(34-26(19)37(23)22-7-5-3-4-6-8-22)33-24-10-9-18(14-31-24)27(39)36-16-20-12-30-13-21(17-36)25(20)38/h9-11,14-15,20-22,25,30,38H,3-8,12-13,16-17H2,1-2H3,(H,31,32,33,34)/t20-,21+,25?
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n/an/a 5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147053
PNG
(US8957074, 93)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4CC3=O)nc2n1C1CCCCCC1 |r|
Show InChI InChI=1S/C29H38N8O2/c1-34(2)28(39)24-12-19-14-31-29(33-27(19)37(24)22-8-6-4-5-7-9-22)32-25-11-10-23(15-30-25)36-18-21-17-35(3)16-20(21)13-26(36)38/h10-12,14-15,20-22H,4-9,13,16-18H2,1-3H3,(H,30,31,32,33)/t20-,21-/m0/s1
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n/an/a<5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147026
PNG
(US8957074, 66)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-18-14-29-27(32-24(18)35(22)21-6-4-3-5-7-21)31-23-11-8-17(13-28-23)25(36)34-15-19-9-10-20(16-34)30-19/h8,11-14,19-21,30H,3-7,9-10,15-16H2,1-2H3,(H,28,29,31,32)
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n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146998
PNG
(US8957074, 37)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1[C@H]1CC[C@@H](CC1)C(C)(C)C |r,wU:31.35,wD:34.42,(3.47,1.95,;4.24,3.29,;5.78,3.29,;3.47,4.62,;4.24,5.95,;1.93,4.62,;1.02,5.87,;-.44,5.39,;-1.78,6.16,;-3.11,5.39,;-3.11,3.85,;-4.44,3.08,;-4.44,1.54,;-3.11,.77,;-3.11,-.77,;-4.44,-1.54,;-5.78,-.77,;-5.78,.77,;-4.44,-3.08,;-5.78,-3.85,;-3.11,-3.85,;-1.78,-3.08,;-.44,-3.85,;-1.71,-4.03,;-2.26,-5.02,;-1.78,-6.16,;-3.11,-5.39,;-.44,-5.39,;-1.78,3.08,;-.44,3.85,;1.02,3.37,;1.42,1.89,;2.91,1.49,;3.31,0,;2.22,-1.09,;.73,-.69,;.33,.8,;2.62,-2.58,;4.1,-2.97,;1.53,-3.67,;3.02,-4.06,)|
Show InChI InChI=1S/C31H42N8O2/c1-31(2,3)21-7-11-24(12-8-21)39-25(29(41)37(4)5)14-20-16-33-30(36-27(20)39)35-26-13-6-19(15-32-26)28(40)38-17-22-9-10-23(18-38)34-22/h6,13-16,21-24,34H,7-12,17-18H2,1-5H3,(H,32,33,35,36)/t21-,22?,23?,24-
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n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147044
PNG
(US8957074, 84 | US8957074, 86)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m1/s1
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n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147100
PNG
(US8957074, 140)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4C)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
Show InChI InChI=1S/C27H34N8O2/c1-32(2)26(37)22-12-17-14-29-27(31-25(17)35(22)18-6-4-5-7-18)30-23-11-10-20(15-28-23)34-16-21-9-8-19(33(21)3)13-24(34)36/h10-12,14-15,18-19,21H,4-9,13,16H2,1-3H3,(H,28,29,30,31)/t19-,21+/m0/s1
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n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147031
PNG
(US8957074, 71)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)/t19-,20+/m0/s1
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n/an/a 5.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147051
PNG
(US8957074, 91)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CNC[C@H]4CC3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)/t16-,18-/m1/s1
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n/an/a 6n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147045
PNG
(US8957074, 85)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-15-11-28-25(30-22(15)33(20)17-5-3-4-6-17)29-21-8-7-18(12-27-21)32-14-16-10-26-13-19(16)23(32)34/h7-9,11-12,16-17,19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t16-,19-/m0/s1
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n/an/a 6n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146974
PNG
(US8957074, 13)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(C)C4)nc2n1C1CCCC1
Show InChI InChI=1S/C27H34N8O2/c1-32(2)26(37)22-11-19-13-29-27(31-24(19)35(22)20-6-4-5-7-20)30-23-9-8-18(12-28-23)25(36)34-15-17-10-21(16-34)33(3)14-17/h8-9,11-13,17,20-21H,4-7,10,14-16H2,1-3H3,(H,28,29,30,31)
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n/an/a 6n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147052
PNG
(US8957074, 92)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CNC[C@@H]4CC3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-24(17)34(21)19-5-3-4-6-19)30-22-8-7-20(14-28-22)33-15-18-12-27-11-16(18)10-23(33)35/h7-9,13-14,16,18-19,27H,3-6,10-12,15H2,1-2H3,(H,28,29,30,31)/t16-,18-/m0/s1
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n/an/a 6n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146980
PNG
(US8957074, 19)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC3CN4)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-9-16-12-28-25(30-22(16)33(20)18-5-3-4-6-18)29-21-8-7-15(11-27-21)23(34)32-14-17-10-19(32)13-26-17/h7-9,11-12,17-19,26H,3-6,10,13-14H2,1-2H3,(H,27,28,29,30)/t17-,19?/m0/s1
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n/an/a 6.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147028
PNG
(US8957074, 68)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1-c1ccc(cc1)C(C)(C)C#N
Show InChI InChI=1S/C31H33N9O2/c1-31(2,18-32)21-6-10-24(11-7-21)40-25(29(42)38(3)4)13-20-15-34-30(37-27(20)40)36-26-12-5-19(14-33-26)28(41)39-16-22-8-9-23(17-39)35-22/h5-7,10-15,22-23,35H,8-9,16-17H2,1-4H3,(H,33,34,36,37)
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n/an/a 6.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147055
PNG
(US8957074, 95)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CN(C)C[C@@H]4C3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-31(2)25(36)21-10-16-11-28-26(30-23(16)34(21)18-6-4-5-7-18)29-22-9-8-19(12-27-22)33-14-17-13-32(3)15-20(17)24(33)35/h8-12,17-18,20H,4-7,13-15H2,1-3H3,(H,27,28,29,30)/t17-,20-/m0/s1
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n/an/a 7n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147095
PNG
(US8957074, 135)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4)nc2n1C1CCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-10-15-12-27-25(30-23(15)33(20)18-4-3-5-18)29-21-9-8-19(13-26-21)32-14-17-7-6-16(28-17)11-22(32)34/h8-10,12-13,16-18,28H,3-7,11,14H2,1-2H3,(H,26,27,29,30)/t16-,17+/m1/s1
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n/an/a 7n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147082
PNG
(US8957074, 122 | US8957074, 124)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-11-16-13-28-26(31-24(16)34(21)19-5-3-4-6-19)30-22-10-9-20(14-27-22)33-15-18-8-7-17(29-18)12-23(33)35/h9-11,13-14,17-19,29H,3-8,12,15H2,1-2H3,(H,27,28,30,31)
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n/an/a 7.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147094
PNG
(US8957074, 134)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCC1
Show InChI InChI=1S/C25H30N8O2/c1-31(2)24(35)20-10-15-12-27-25(30-23(15)33(20)18-4-3-5-18)29-21-9-8-19(13-26-21)32-14-17-7-6-16(28-17)11-22(32)34/h8-10,12-13,16-18,28H,3-7,11,14H2,1-2H3,(H,26,27,29,30)
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n/an/a 8n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147020
PNG
(US8957074, 59)
Show SMILES CSCC[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:16:14:8:10.11|
Show InChI InChI=1S/C31H41N9O3S/c1-37(2)30(43)25-14-20-16-34-31(36-27(20)40(25)21-6-4-5-7-21)35-26-11-8-19(15-33-26)28(41)38-17-22-9-10-23(18-38)39(22)29(42)24(32)12-13-44-3/h8,11,14-16,21-24H,4-7,9-10,12-13,17-18,32H2,1-3H3,(H,33,34,35,36)/t22?,23?,24-/m1/s1
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n/an/a 8n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146986
PNG
(US8957074, 25)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC[C@@H]4CCN[C@@H]4C3)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C28H36N8O2/c1-34(2)27(38)23-14-20-16-31-28(33-25(20)36(23)21-7-3-4-8-21)32-24-10-9-19(15-30-24)26(37)35-13-5-6-18-11-12-29-22(18)17-35/h9-10,14-16,18,21-22,29H,3-8,11-13,17H2,1-2H3,(H,30,31,32,33)/t18-,22-/m1/s1
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n/an/a 8n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147077
PNG
(US8957074, 117)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3)nc2n1C1CCCC1
Show InChI InChI=1S/C26H34N8O/c1-31(2)25(35)22-14-18-15-28-26(30-24(18)34(22)19-6-3-4-7-19)29-23-10-9-20(16-27-23)33-13-12-32-11-5-8-21(32)17-33/h9-10,14-16,19,21H,3-8,11-13,17H2,1-2H3,(H,27,28,29,30)
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n/an/a 8n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147070
PNG
(US8957074, 110)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O3/c1-32(2)23(35)20-12-17-13-29-24(31-22(17)34(20)18-6-3-4-7-18)30-21-9-8-19(14-28-21)33-16-26(37-25(33)36)10-5-11-27-15-26/h8-9,12-14,18,27H,3-7,10-11,15-16H2,1-2H3,(H,28,29,30,31)/t26-/m1/s1
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n/an/a 8n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147067
PNG
(US8957074, 107)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CCCNC4)OC3=O)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O3/c1-32(2)23(35)20-12-17-13-29-24(31-22(17)34(20)18-6-3-4-7-18)30-21-9-8-19(14-28-21)33-16-26(37-25(33)36)10-5-11-27-15-26/h8-9,12-14,18,27H,3-7,10-11,15-16H2,1-2H3,(H,28,29,30,31)
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n/an/a 9n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147088
PNG
(US8957074, 128)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(CC3=O)N4)nc2n1-c1ccccc1
Show InChI InChI=1S/C27H28N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h3-7,10-12,14-15,18-19,30H,8-9,13,16H2,1-2H3,(H,28,29,31,32)
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n/an/a 9n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147090
PNG
(US8957074, 130)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@H]4CC[C@@H](CC3=O)N4)nc2n1-c1ccccc1 |r|
Show InChI InChI=1S/C27H28N8O2/c1-33(2)26(37)22-12-17-14-29-27(32-25(17)35(22)20-6-4-3-5-7-20)31-23-11-10-21(15-28-23)34-16-19-9-8-18(30-19)13-24(34)36/h3-7,10-12,14-15,18-19,30H,8-9,13,16H2,1-2H3,(H,28,29,31,32)/t18-,19+/m0/s1
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n/an/a 9n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM146972
PNG
(US8957074, 11)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@H]4CN[C@H](C4)C3)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-10-18-13-29-26(31-23(18)34(21)20-5-3-4-6-20)30-22-8-7-17(12-28-22)24(35)33-14-16-9-19(15-33)27-11-16/h7-8,10,12-13,16,19-20,27H,3-6,9,11,14-15H2,1-2H3,(H,28,29,30,31)/t16-,19-/m1/s1
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n/an/a 9n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147078
PNG
(US8957074, 118)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC3=O)CC3CCC(C4)N3)nc2n1C1CCCC1 |TLB:19:20:30:26.27,THB:21:20:30:26.27|
Show InChI InChI=1S/C29H36N8O2/c1-35(2)27(39)23-11-18-15-31-28(34-26(18)37(23)21-5-3-4-6-21)33-24-10-9-22(16-30-24)36-17-29(14-25(36)38)12-19-7-8-20(13-29)32-19/h9-11,15-16,19-21,32H,3-8,12-14,17H2,1-2H3,(H,30,31,33,34)
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n/an/a 9.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147023
PNG
(US8957074, 62)
Show SMILES CC(C)[C@@H](N)C(=O)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |r,THB:15:13:7:9.10|
Show InChI InChI=1S/C31H41N9O3/c1-18(2)26(32)30(43)39-22-10-11-23(39)17-38(16-22)28(41)19-9-12-25(33-14-19)35-31-34-15-20-13-24(29(42)37(3)4)40(27(20)36-31)21-7-5-6-8-21/h9,12-15,18,21-23,26H,5-8,10-11,16-17,32H2,1-4H3,(H,33,34,35,36)/t22?,23?,26-/m1/s1
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n/an/a 10n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147029
PNG
(US8957074, 69)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4CCC(C3)N4)nc2n1C1CCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-18-15-29-27(32-24(18)35(22)21-5-3-4-6-21)31-23-10-7-17(14-28-23)25(36)34-12-11-19-8-9-20(16-34)30-19/h7,10,13-15,19-21,30H,3-6,8-9,11-12,16H2,1-2H3,(H,28,29,31,32)
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n/an/a 11.5n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147069
PNG
(US8957074, 109)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNC4)OC3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O3/c1-32(2)23(35)20-12-17-13-29-24(31-22(17)34(20)18-6-3-4-7-18)30-21-9-8-19(14-28-21)33-16-26(37-25(33)36)10-5-11-27-15-26/h8-9,12-14,18,27H,3-7,10-11,15-16H2,1-2H3,(H,28,29,30,31)/t26-/m0/s1
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n/an/a 12n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4


(Homo sapiens (Human))		BDBM147065
PNG
(US8957074, 105)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@]4(CCCNCC4)OC3=O)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C27H34N8O3/c1-33(2)24(36)21-14-18-15-30-25(32-23(18)35(21)19-6-3-4-7-19)31-22-9-8-20(16-29-22)34-17-27(38-26(34)37)10-5-12-28-13-11-27/h8-9,14-16,19,28H,3-7,10-13,17H2,1-2H3,(H,29,30,31,32)/t27-/m0/s1
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US Patent
n/an/a 12n/an/an/an/a7.522



Novartis AG

US Patent


Assay Description
An assay for monitoring CDK4/cyclin D1-catalyzed phosphorylation of pRb at the Ser780 site was performed using TR-FRET in a 384-well format, and was ...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%