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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))		BDBM47157
PNG
(US8957074, 124 | US8957074, 72)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4CC[C@H](C3)N4)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-11-17-13-28-26(31-23(17)34(21)20-5-3-4-6-20)30-22-10-7-16(12-27-22)24(35)33-14-18-8-9-19(15-33)29-18/h7,10-13,18-20,29H,3-6,8-9,14-15H2,1-2H3,(H,27,28,30,31)/t18-,19+
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM146976
PNG
(US8957074, 15)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3C[C@@H]4C[C@]4(N)C3)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C25H30N8O2/c1-31(2)23(35)19-9-16-12-28-24(30-21(16)33(19)18-5-3-4-6-18)29-20-8-7-15(11-27-20)22(34)32-13-17-10-25(17,26)14-32/h7-9,11-12,17-18H,3-6,10,13-14,26H2,1-2H3,(H,27,28,29,30)/t17-,25-/m0/s1
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM146988
PNG
(US8957074, 27)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(C)=O)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
Show InChI InChI=1S/C28H34N8O3/c1-17(37)35-21-9-10-22(35)16-34(15-21)26(38)18-8-11-24(29-13-18)31-28-30-14-19-12-23(27(39)33(2)3)36(25(19)32-28)20-6-4-5-7-20/h8,11-14,20-22H,4-7,9-10,15-16H2,1-3H3,(H,29,30,31,32)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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 1.30E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147019
PNG
(US8957074, 58)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C(C)(C)C |TLB:18:20:27:23.24|
Show InChI InChI=1S/C25H32N8O2/c1-25(2,3)33-19(23(35)31(4)5)10-16-12-27-24(30-21(16)33)29-20-9-6-15(11-26-20)22(34)32-13-17-7-8-18(14-32)28-17/h6,9-12,17-18,28H,7-8,13-14H2,1-5H3,(H,26,27,29,30)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147039
PNG
(US8957074, 79)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CCC(N4)C3=O)nc2n1C1CCCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-13-17-14-29-27(32-24(17)35(22)19-7-5-3-4-6-8-19)31-23-12-10-20(15-28-23)34-16-18-9-11-21(30-18)25(34)36/h10,12-15,18-19,21,30H,3-9,11,16H2,1-2H3,(H,28,29,31,32)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147060
PNG
(US8957074, 100)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCCC1
Show InChI InChI=1S/C28H36N8O2/c1-33(2)26(37)23-16-19-17-30-28(32-25(19)36(23)20-8-4-3-5-9-20)31-24-12-11-21(18-29-24)35-15-14-34-13-7-6-10-22(34)27(35)38/h11-12,16-18,20,22H,3-10,13-15H2,1-2H3,(H,29,30,31,32)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147089
PNG
(US8957074, 129)
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+/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147099
PNG
(US8957074, 139)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
Show InChI InChI=1S/C28H34N8O3/c1-17(37)35-20-8-9-22(35)16-34(25(38)13-20)21-10-11-24(29-15-21)31-28-30-14-18-12-23(27(39)33(2)3)36(26(18)32-28)19-6-4-5-7-19/h10-12,14-15,19-20,22H,4-9,13,16H2,1-3H3,(H,29,30,31,32)/t20-,22+/m1/s1
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


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


(Homo sapiens (Human))		BDBM146967
PNG
(US8957074, 6)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)C4(C)O)nc2n1C1CCCCCC1 |TLB:29:27:20.26.21:23.24,18:20:27:23.24,THB:28:27:20.26.21:23.24|
Show InChI InChI=1S/C30H39N7O3/c1-30(40)21-11-12-22(30)18-36(17-21)27(38)19-10-13-25(31-15-19)33-29-32-16-20-14-24(28(39)35(2)3)37(26(20)34-29)23-8-6-4-5-7-9-23/h10,13-16,21-23,40H,4-9,11-12,17-18H2,1-3H3,(H,31,32,33,34)
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n/an/a 187n/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))		BDBM146968
PNG
(US8957074, 7)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC3C4O)nc2n1C1CCCCCC1 |TLB:18:20:24.23:26,THB:27:26:24.23:20.21|
Show InChI InChI=1S/C28H35N7O3/c1-33(2)27(38)22-13-19-15-30-28(32-25(19)35(22)20-7-5-3-4-6-8-20)31-23-12-10-17(14-29-23)26(37)34-16-18-9-11-21(34)24(18)36/h10,12-15,18,20-21,24,36H,3-9,11,16H2,1-2H3,(H,29,30,31,32)
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n/an/a 21n/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))		BDBM146973
PNG
(US8957074, 12)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(CC(F)(F)F)C4)nc2n1C1CCCC1
Show InChI InChI=1S/C28H33F3N8O2/c1-36(2)26(41)22-10-19-12-33-27(35-24(19)39(22)20-5-3-4-6-20)34-23-8-7-18(11-32-23)25(40)37-13-17-9-21(15-37)38(14-17)16-28(29,30)31/h7-8,10-12,17,20-21H,3-6,9,13-16H2,1-2H3,(H,32,33,34,35)
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n/an/a 49n/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))		BDBM146979
PNG
(US8957074, 18)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-11-17-13-28-26(31-23(17)34(21)20-5-3-4-6-20)30-22-10-7-16(12-27-22)24(35)33-14-18-8-9-19(15-33)29-18/h7,10-13,18-20,29H,3-6,8-9,14-15H2,1-2H3,(H,27,28,30,31)
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n/an/a 16n/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))		BDBM146990
PNG
(US8957074, 29)
Show SMILES CC(C)N1C2CCC1CN(C2)C(=O)c1ccc(Nc2ncc3cc(C(=O)N(C)C)n(C4CCCC4)c3n2)nc1 |TLB:1:3:9.8.10:5.6,THB:11:9:3:5.6|
Show InChI InChI=1S/C29H38N8O2/c1-18(2)36-22-10-11-23(36)17-35(16-22)27(38)19-9-12-25(30-14-19)32-29-31-15-20-13-24(28(39)34(3)4)37(26(20)33-29)21-7-5-6-8-21/h9,12-15,18,21-23H,5-8,10-11,16-17H2,1-4H3,(H,30,31,32,33)
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n/an/a 15.5n/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))		BDBM146993
PNG
(US8957074, 32)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CNCC4C3)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)25(36)21-9-17-13-29-26(31-23(17)34(21)20-5-3-4-6-20)30-22-8-7-16(12-28-22)24(35)33-14-18-10-27-11-19(18)15-33/h7-9,12-13,18-20,27H,3-6,10-11,14-15H2,1-2H3,(H,28,29,30,31)
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n/an/a 18n/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))		BDBM147011
PNG
(US8957074, 50)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CCC(C4)N5)c(C)n3)nc2n1C1CCCC1
Show InChI InChI=1S/C27H34N8O2/c1-16-21(25(36)34-14-18-8-9-19(15-34)30-18)10-11-23(29-16)31-27-28-13-17-12-22(26(37)33(2)3)35(24(17)32-27)20-6-4-5-7-20/h10-13,18-20,30H,4-9,14-15H2,1-3H3,(H,28,29,31,32)
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n/an/a 21n/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))		BDBM147013
PNG
(US8957074, 52)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCCC(C3)N4)nc2n1C1CCCC1
Show InChI InChI=1S/C27H34N8O2/c1-33(2)26(37)22-12-18-14-29-27(32-24(18)35(22)21-8-3-4-9-21)31-23-11-10-17(13-28-23)25(36)34-15-19-6-5-7-20(16-34)30-19/h10-14,19-21,30H,3-9,15-16H2,1-2H3,(H,28,29,31,32)
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n/an/a 27n/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))		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))		BDBM147018
PNG
(US8957074, 57)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4)nc2n1C1CCN(CC1)C(C)(C)C |TLB:18:20:27:23.24|
Show InChI InChI=1S/C30H41N9O2/c1-30(2,3)38-12-10-23(11-13-38)39-24(28(41)36(4)5)14-20-16-32-29(35-26(20)39)34-25-9-6-19(15-31-25)27(40)37-17-21-7-8-22(18-37)33-21/h6,9,14-16,21-23,33H,7-8,10-13,17-18H2,1-5H3,(H,31,32,34,35)
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n/an/a 1.57E+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))		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))		BDBM147037
PNG
(US8957074, 77)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4CC4(N)C3)nc2n1C1CCCC1
Show InChI InChI=1S/C24H30N8O/c1-30(2)22(33)19-9-15-11-27-23(29-21(15)32(19)17-5-3-4-6-17)28-20-8-7-18(12-26-20)31-13-16-10-24(16,25)14-31/h7-9,11-12,16-17H,3-6,10,13-14,25H2,1-2H3,(H,26,27,28,29)
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n/an/a 27n/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))		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))		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))		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))		BDBM147057
PNG
(US8957074, 97)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C4CCN(CC4)CC3=O)nc2n1C1CCCC1 |(10.21,-9.15,;8.67,-9.15,;7.9,-10.49,;7.9,-7.82,;8.67,-6.49,;6.36,-7.82,;5.46,-6.57,;3.99,-7.05,;2.66,-6.28,;1.32,-7.05,;1.32,-8.59,;-.01,-9.36,;-.01,-10.9,;1.32,-11.67,;1.32,-13.21,;-.01,-13.98,;-1.34,-13.21,;-1.34,-11.67,;-.01,-15.52,;1.43,-15.91,;1.99,-16.87,;1.99,-18.12,;.33,-19.02,;1.24,-17.72,;.43,-16.91,;-1.21,-18.02,;-1.21,-16.48,;-2.55,-15.71,;2.66,-9.36,;3.99,-8.59,;5.46,-9.07,;5.85,-10.55,;7.32,-11.03,;7.32,-12.57,;5.85,-13.05,;4.95,-11.8,)|
Show InChI InChI=1S/C26H32N8O2/c1-31(2)25(36)21-13-17-14-28-26(30-24(17)34(21)18-5-3-4-6-18)29-22-8-7-20(15-27-22)33-19-9-11-32(12-10-19)16-23(33)35/h7-8,13-15,18-19H,3-6,9-12,16H2,1-2H3,(H,27,28,29,30)
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n/an/a 51n/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))		BDBM147058
PNG
(US8957074, 98)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCC4C3=O)nc2n1C1CCCCC1
Show InChI InChI=1S/C27H34N8O2/c1-32(2)25(36)22-15-18-16-29-27(31-24(18)35(22)19-7-4-3-5-8-19)30-23-11-10-20(17-28-23)34-14-13-33-12-6-9-21(33)26(34)37/h10-11,15-17,19,21H,3-9,12-14H2,1-2H3,(H,28,29,30,31)
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n/an/a 57n/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))		BDBM147059
PNG
(US8957074, 99)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCN4CCCCC4C3=O)nc2n1C1CCCC1
Show InChI InChI=1S/C27H34N8O2/c1-32(2)25(36)22-15-18-16-29-27(31-24(18)35(22)19-7-3-4-8-19)30-23-11-10-20(17-28-23)34-14-13-33-12-6-5-9-21(33)26(34)37/h10-11,15-17,19,21H,3-9,12-14H2,1-2H3,(H,28,29,30,31)
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n/an/a 71n/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))		BDBM147073
PNG
(US8957074, 113)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CCC4(CCCN4)C3=O)nc2n1C1CCCC1
Show InChI InChI=1S/C26H32N8O2/c1-32(2)23(35)20-14-17-15-28-25(31-22(17)34(20)18-6-3-4-7-18)30-21-9-8-19(16-27-21)33-13-11-26(24(33)36)10-5-12-29-26/h8-9,14-16,18,29H,3-7,10-13H2,1-2H3,(H,27,28,30,31)
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n/an/a 19n/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))		BDBM147092
PNG
(US8957074, 132)
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+/m1/s1
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n/an/a 19n/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))		BDBM147098
PNG
(US8957074, 138)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3C[C@@H]4CC[C@H](CC3=O)N4C(=O)CNC(C)=O)nc2n1C1CCCC1 |r,THB:28:27:24.25.18.19:22.21|
Show InChI InChI=1S/C30H37N9O4/c1-18(40)31-16-27(42)38-21-8-9-23(38)17-37(26(41)13-21)22-10-11-25(32-15-22)34-30-33-14-19-12-24(29(43)36(2)3)39(28(19)35-30)20-6-4-5-7-20/h10-12,14-15,20-21,23H,4-9,13,16-17H2,1-3H3,(H,31,40)(H,32,33,34,35)/t21-,23+/m1/s1
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n/an/a 106n/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 1


(Homo sapiens (Human))		BDBM146966
PNG
(US8957074, 5)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCC4(CNC4)CC3)nc2n1C1CCCCCC1
Show InChI InChI=1S/C29H38N8O2/c1-35(2)27(39)23-15-21-17-32-28(34-25(21)37(23)22-7-5-3-4-6-8-22)33-24-10-9-20(16-31-24)26(38)36-13-11-29(12-14-36)18-30-19-29/h9-10,15-17,22,30H,3-8,11-14,18-19H2,1-2H3,(H,31,32,33,34)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM146973
PNG
(US8957074, 12)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CC(C3)N(CC(F)(F)F)C4)nc2n1C1CCCC1
Show InChI InChI=1S/C28H33F3N8O2/c1-36(2)26(41)22-10-19-12-33-27(35-24(19)39(22)20-5-3-4-6-20)34-23-8-7-18(11-32-23)25(40)37-13-17-9-21(15-37)38(14-17)16-28(29,30)31/h7-8,10-12,17,20-21H,3-6,9,13-16H2,1-2H3,(H,32,33,34,35)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147001
PNG
(US8957074, 40)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3[C@H]4CNC[C@@H]3COC4)nc2n1C1CCCC1 |r,TLB:18:20:24.23.22:28.27.26|
Show InChI InChI=1S/C26H32N8O3/c1-32(2)25(36)21-9-17-11-29-26(31-23(17)34(21)18-5-3-4-6-18)30-22-8-7-16(10-28-22)24(35)33-19-12-27-13-20(33)15-37-14-19/h7-11,18-20,27H,3-6,12-15H2,1-2H3,(H,28,29,30,31)/t19-,20+
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147004
PNG
(US8957074, 43)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-33(2)26(38)22-9-17-15-30-27(32-25(17)34(22)18-5-3-4-6-18)31-23-8-7-16(14-29-23)24(37)28-12-19-10-21(36)11-20(13-28)35(19)28/h7-9,14-15,18-21,36H,3-6,10-13H2,1-2H3,(H,29,30,31,32)/t19?,20?,21-,28?
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147005
PNG
(US8957074, 44)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)C34C[C@H]5C[C@@H](O)C[C@@H](C3)N45)nc2n1C1CCCC1 |r|
Show InChI InChI=1S/C28H33N7O3/c1-33(2)26(38)22-9-17-15-30-27(32-25(17)34(22)18-5-3-4-6-18)31-23-8-7-16(14-29-23)24(37)28-12-19-10-21(36)11-20(13-28)35(19)28/h7-9,14-15,18-21,36H,3-6,10-13H2,1-2H3,(H,29,30,31,32)/t19?,20?,21-,28?
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147009
PNG
(US8957074, 48)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CCN4CCC3CC4)nc2n1C1CCCC1 |(3.47,2.15,;4.24,3.48,;5.78,3.48,;3.47,4.82,;4.24,6.15,;1.93,4.82,;1.02,6.06,;-.44,5.59,;-1.78,6.36,;-3.11,5.59,;-3.11,4.05,;-4.44,3.28,;-4.44,1.74,;-3.11,.97,;-3.11,-.57,;-4.44,-1.34,;-5.78,-.57,;-5.78,.97,;-4.44,-2.88,;-5.78,-3.65,;-3.11,-3.65,;-3.45,-5.15,;-2.49,-6.36,;-.95,-6.36,;.01,-5.15,;-.33,-3.65,;-1.72,-2.98,;-1.02,-4.19,;-1.72,-5.02,;-1.78,3.28,;-.44,4.05,;1.02,3.57,;1.79,2.24,;3.26,1.76,;3.26,.22,;1.79,-.25,;.89,.99,)|
Show InChI InChI=1S/C27H34N8O2/c1-32(2)26(37)22-15-19-17-29-27(31-24(19)35(22)21-5-3-4-6-21)30-23-8-7-18(16-28-23)25(36)34-14-13-33-11-9-20(34)10-12-33/h7-8,15-17,20-21H,3-6,9-14H2,1-2H3,(H,28,29,30,31)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147021
PNG
(US8957074, 60)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)CN)nc2n1C1CCCC1 |TLB:18:20:27:23.24,28:27:21.20.26:23.24|
Show InChI InChI=1S/C28H35N9O3/c1-34(2)27(40)22-11-18-14-31-28(33-25(18)37(22)19-5-3-4-6-19)32-23-10-7-17(13-30-23)26(39)35-15-20-8-9-21(16-35)36(20)24(38)12-29/h7,10-11,13-14,19-21H,3-6,8-9,12,15-16,29H2,1-2H3,(H,30,31,32,33)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147022
PNG
(US8957074, 61)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)C(=O)N3CC4CCC(C3)N4C(=O)C3CCCN3)nc2n1C1CCCC1 |TLB:18:20:27:23.24|
Show InChI InChI=1S/C31H39N9O3/c1-37(2)30(43)25-14-20-16-34-31(36-27(20)40(25)21-6-3-4-7-21)35-26-12-9-19(15-33-26)28(41)38-17-22-10-11-23(18-38)39(22)29(42)24-8-5-13-32-24/h9,12,14-16,21-24,32H,3-8,10-11,13,17-18H2,1-2H3,(H,33,34,35,36)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147038
PNG
(US8957074, 78)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(nn3)N3CC4CCC(CC3=O)N4)nc2n1C1CCCC1
Show InChI InChI=1S/C25H31N9O2/c1-32(2)24(36)19-11-15-13-26-25(29-23(15)34(19)18-5-3-4-6-18)28-20-9-10-21(31-30-20)33-14-17-8-7-16(27-17)12-22(33)35/h9-11,13,16-18,27H,3-8,12,14H2,1-2H3,(H,26,28,29,30)
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n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147040
PNG
(US8957074, 80)
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,(5.78,3.29,;4.24,3.29,;3.47,1.95,;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,;-1.74,-4,;-2.32,-5.18,;-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 1.40E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(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 3.81E+3n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

US Patent US8957074 (2015)


BindingDB Entry DOI: 10.7270/Q2K0730S
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))		BDBM147054
PNG
(US8957074, 94)
Show SMILES CN(C)C(=O)c1cc2cnc(Nc3ccc(cn3)N3CC4(CC5CCC(C4)N5)OC3=O)nc2n1C1CCCCC1 |TLB:28:20:27:23.24,THB:19:20:27:23.24|
Show InChI InChI=1S/C29H36N8O3/c1-35(2)26(38)23-12-18-15-31-27(34-25(18)37(23)21-6-4-3-5-7-21)33-24-11-10-22(16-30-24)36-17-29(40-28(36)39)13-19-8-9-20(14-29)32-19/h10-12,15-16,19-21,32H,3-9,13-14,17H2,1-2H3,(H,30,31,33,34)
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Similars
US Patent
n/an/a>1.50E+4n/an/an/an/an/a25



Novartis AG

US Patent


Assay Description
A 384-well microtiter IMAP-FP (Molecular Devices Trade Mark Technology) endpoint assay was used for CDK1/cyclin B kinase activity measurements. The s...

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%