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Compile Data Set for Download or QSAR

Found 20 hits of affinity data for UniProtKB/TrEMBL: Q0GMK6   
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 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM50420304
PNG
(CHEMBL2089065 | US8598217, 165)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C30H27N7O/c1-36(2)22-11-13-37(14-12-22)27-10-9-26-29(34-27)35-30(33-26)28(38)19-7-8-20(16-31)24(15-19)25-18-32-17-21-5-3-4-6-23(21)25/h3-10,15,17-18,22H,11-14H2,1-2H3,(H,33,34,35)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107751
PNG
(CHEMBL2089063 | US8598217, 89)
Show SMILES CN(C)C1CCN(CC1)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C29H28N6O/c1-34(2)21-10-13-35(14-11-21)22-7-8-25-27(16-22)33-29(32-25)28(36)19-9-12-31-26(15-19)24-18-30-17-20-5-3-4-6-23(20)24/h3-9,12,15-18,21H,10-11,13-14H2,1-2H3,(H,32,33)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107755
PNG
(US8598217, 140)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1cncc2[nH]ccc12
Show InChI InChI=1S/C28H26N8O/c1-35(2)19-8-11-36(12-9-19)25-6-5-23-27(33-25)34-28(32-23)26(37)17-3-4-18(14-29)21(13-17)22-15-30-16-24-20(22)7-10-31-24/h3-7,10,13,15-16,19,31H,8-9,11-12H2,1-2H3,(H,32,33,34)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107761
PNG
(US8598217, 174)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)C(=O)c1ccc2nc[nH]c2c1
Show InChI InChI=1S/C17H22N4O3/c1-17(2,3)24-16(23)21-8-6-20(7-9-21)15(22)12-4-5-13-14(10-12)19-11-18-13/h4-5,10-11H,6-9H2,1-3H3,(H,18,19)
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n/an/a 5n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107765
PNG
(US8598217, 166)
Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccc(C#N)c(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C27H21N7O/c28-14-18-6-5-17(13-21(18)22-16-30-15-19-3-1-2-4-20(19)22)25(35)27-31-23-7-8-24(32-26(23)33-27)34-11-9-29-10-12-34/h1-8,13,15-16,29H,9-12H2,(H,31,32,33)
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n/an/a 8n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM50420305
PNG
(CHEMBL2089057 | US8598217, 173)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccc(C#N)c(c1)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C27H30N8O/c1-16-24(17(2)34(5)32-16)21-14-18(6-7-19(21)15-28)25(36)27-29-22-8-9-23(30-26(22)31-27)35-12-10-20(11-13-35)33(3)4/h6-9,14,20H,10-13H2,1-5H3,(H,29,30,31)
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n/an/a 12n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM50420303
PNG
(CHEMBL2089064 | US8598217, 135)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C28H27N7O/c1-34(2)20-10-13-35(14-11-20)25-8-7-23-27(32-25)33-28(31-23)26(36)18-9-12-30-24(15-18)22-17-29-16-19-5-3-4-6-21(19)22/h3-9,12,15-17,20H,10-11,13-14H2,1-2H3,(H,31,32,33)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107756
PNG
(US8598217, 163)
Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCCNCC1)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C26H23N7O/c34-24(17-8-10-29-22(14-17)20-16-28-15-18-4-1-2-5-19(18)20)26-30-21-6-7-23(31-25(21)32-26)33-12-3-9-27-11-13-33/h1-2,4-8,10,14-16,27H,3,9,11-13H2,(H,30,31,32)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107757
PNG
(US8598217, 164)
Show SMILES O=C(c1nc2nc(ccc2[nH]1)N1CCNCC1)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C25H21N7O/c33-23(25-29-20-5-6-22(30-24(20)31-25)32-11-9-26-10-12-32)16-7-8-28-21(13-16)19-15-27-14-17-3-1-2-4-18(17)19/h1-8,13-15,26H,9-12H2,(H,29,30,31)
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n/an/a 24n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107753
PNG
(US8598217, 99)
Show SMILES CN1CCC(CC1)NC(=O)c1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C29H26N6O2/c1-35-12-9-21(10-13-35)32-29(37)19-6-7-24-26(15-19)34-28(33-24)27(36)18-8-11-31-25(14-18)23-17-30-16-20-4-2-3-5-22(20)23/h2-8,11,14-17,21H,9-10,12-13H2,1H3,(H,32,37)(H,33,34)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107750
PNG
(US8598217, 86)
Show SMILES CN1CCN(Cc2ccc3nc([nH]c3c2)C(=O)c2ccnc(c2)-c2cncc3ccccc23)CC1
Show InChI InChI=1S/C28H26N6O/c1-33-10-12-34(13-11-33)18-19-6-7-24-26(14-19)32-28(31-24)27(35)20-8-9-30-25(15-20)23-17-29-16-21-4-2-3-5-22(21)23/h2-9,14-17H,10-13,18H2,1H3,(H,31,32)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107752
PNG
(US8598217, 98)
Show SMILES OCC(O)COc1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C25H20N4O4/c30-13-17(31)14-33-18-5-6-21-23(10-18)29-25(28-21)24(32)15-7-8-27-22(9-15)20-12-26-11-16-3-1-2-4-19(16)20/h1-12,17,30-31H,13-14H2,(H,28,29)
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n/an/a 33n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107749
PNG
(US8598217, 84)
Show SMILES CN(C)Cc1ccc2nc([nH]c2c1)C(=O)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C25H21N5O/c1-30(2)15-16-7-8-21-23(11-16)29-25(28-21)24(31)17-9-10-27-22(12-17)20-14-26-13-18-5-3-4-6-19(18)20/h3-14H,15H2,1-2H3,(H,28,29)
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n/an/a 57n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107754
PNG
(US8598217, 103)
Show SMILES COc1ccc(F)c(F)c1-c1cc(ccn1)C(=O)c1nc2ccc(cc2[nH]1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C27H27F2N5O2/c1-33(2)17-9-12-34(13-10-17)18-4-6-20-21(15-18)32-27(31-20)26(35)16-8-11-30-22(14-16)24-23(36-3)7-5-19(28)25(24)29/h4-8,11,14-15,17H,9-10,12-13H2,1-3H3,(H,31,32)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107764
PNG
(US8598217, 148)
Show SMILES COc1ccc(F)c(F)c1-c1cccc(c1)C(=O)c1nc2nc(ccc2[nH]1)N1CCC(CC1)N(C)C
Show InChI InChI=1S/C27H27F2N5O2/c1-33(2)18-11-13-34(14-12-18)22-10-8-20-26(31-22)32-27(30-20)25(35)17-6-4-5-16(15-17)23-21(36-3)9-7-19(28)24(23)29/h4-10,15,18H,11-14H2,1-3H3,(H,30,31,32)
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n/an/a 67n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107762
PNG
(US8598217, 182)
Show SMILES O=C(c1nc2ccc(cc2[nH]1)S(=O)(=O)N1CCNCC1)c1ccnc(c1)-c1cncc2ccccc12
Show InChI InChI=1S/C26H22N6O3S/c33-25(17-7-8-29-23(13-17)21-16-28-15-18-3-1-2-4-20(18)21)26-30-22-6-5-19(14-24(22)31-26)36(34,35)32-11-9-27-10-12-32/h1-8,13-16,27H,9-12H2,(H,30,31)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107763
PNG
(US8598217, 189)
Show SMILES Cc1nn(C)c(C)c1-c1cc(ccc1C#N)C(=O)c1nc2nc(ccc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C24H24N8O/c1-14-21(15(2)31(3)30-14)18-12-16(4-5-17(18)13-25)22(33)24-27-19-6-7-20(28-23(19)29-24)32-10-8-26-9-11-32/h4-7,12,26H,8-11H2,1-3H3,(H,27,28,29)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107758
PNG
(US8598217, 167)
Show SMILES CN(C)C1CCN(CC1)c1ccc2[nH]c(nc2n1)C(=O)c1ccnc(c1)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C24H28N8O/c1-14-21(15(2)30-29-14)19-13-16(7-10-25-19)22(33)24-26-18-5-6-20(27-23(18)28-24)32-11-8-17(9-12-32)31(3)4/h5-7,10,13,17H,8-9,11-12H2,1-4H3,(H,29,30)(H,26,27,28)
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n/an/a 195n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107759
PNG
(US8598217, 169)
Show SMILES Cc1n[nH]c(C)c1-c1cc(ccn1)C(=O)c1nc2nc(ccc2[nH]1)N1CCNCC1
Show InChI InChI=1S/C21H22N8O/c1-12-18(13(2)28-27-12)16-11-14(5-6-23-16)19(30)21-24-15-3-4-17(25-20(15)26-21)29-9-7-22-8-10-29/h3-6,11,22H,7-10H2,1-2H3,(H,27,28)(H,24,25,26)
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Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 4 (CDK4)


(Oryctolagus cuniculus (Rabbit))
BDBM107760
PNG
(US8598217, 170)
Show SMILES Cc1n[nH]c(C)c1-c1cc(ccn1)C(=O)c1nc2nc(ccc2[nH]1)N1CCCNCC1
Show InChI InChI=1S/C22H24N8O/c1-13-19(14(2)29-28-13)17-12-15(6-8-24-17)20(31)22-25-16-4-5-18(26-21(16)27-22)30-10-3-7-23-9-11-30/h4-6,8,12,23H,3,7,9-11H2,1-2H3,(H,28,29)(H,25,26,27)
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US Patent
n/an/a 548n/an/an/an/a7.5n/a



Astex Therapeutics Ltd.; Novartis AG

US Patent


Assay Description
A 384-well microtiter Lance TR-FRET (time-resolved-fluorescence energy transfer) endpoint assay was used for CDK4/cyclin D1 kinase activity measureme...


US Patent US8598217 (2013)


BindingDB Entry DOI: 10.7270/Q2BG2MN8
More data for this
Ligand-Target Pair