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Compile Data Set for Download or QSAR

Found 96 hits from Cyclacel Limited; Cancer Research Technology Limited   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106952
PNG
(US8592581, 3)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27ClN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 10n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106953
PNG
(US8592581, 4)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27FN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 20n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106950
PNG
(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
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n/an/a 20n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106960
PNG
(US8592581, 11)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H26F3N7O/c1-5-14(12(4)31)27-19-28-17(16-18(29-19)30(10-26-16)11(2)3)25-9-13-6-7-15(24-8-13)20(21,22)23/h6-8,10-12,14,31H,5,9H2,1-4H3,(H2,25,27,28,29)/t12-,14+/m1/s1
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n/an/a 40n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106956
PNG
(US8592581, 7)
Show SMILES CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(9-19-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,18,20,21,22)/t11-,13+/m1/s1
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n/an/a 40n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106958
PNG
(US8592581, 9)
Show SMILES CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-6-8-20-9-7-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 40n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106955
PNG
(US8592581, 6)
Show SMILES CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C16H26N6O/c1-5-12(10(4)23)19-16-20-14(18-11-6-7-11)13-15(21-16)22(8-17-13)9(2)3/h8-12,23H,5-7H2,1-4H3,(H2,18,19,20,21)/t10-,12+/m1/s1
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n/an/a 50n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106959
PNG
(US8592581, 10)
Show SMILES CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-23-18)12(2)3)22-10-16-8-13(4)24-14(5)9-16/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,22,25,26,27)/t15-,17+/m1/s1
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n/an/a 50n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106961
PNG
(US8592581, 12)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(21-10-15-9-7-8-13(4)23-15)17-19(26-20)27(11-22-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,21,24,25,26)/t14-,16+/m1/s1
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n/an/a 50n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106952
PNG
(US8592581, 3)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27ClN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 60n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 70n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106953
PNG
(US8592581, 4)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27FN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 80n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106950
PNG
(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
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n/an/a 90n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106965
PNG
(US8592581, 16)
Show SMILES CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
Show InChI InChI=1S/C19H24F3N7O/c1-4-13(15(30)19(20,21)22)26-18-27-16(24-9-12-6-5-7-23-8-12)14-17(28-18)29(10-25-14)11(2)3/h5-8,10-11,13,15,30H,4,9H2,1-3H3,(H2,24,26,27,28)
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n/an/a 90n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106950
PNG
(US8592581, 1)
Show SMILES CC[C@H](Nc1nc(NCc2cnc(C)cc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
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n/an/a 100n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106952
PNG
(US8592581, 3)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(Cl)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27ClN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 100n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106953
PNG
(US8592581, 4)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(F)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27FN6O/c1-5-16(13(4)28)24-20-25-18(22-10-14-7-6-8-15(21)9-14)17-19(26-20)27(11-23-17)12(2)3/h6-9,11-13,16,28H,5,10H2,1-4H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 120n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106957
PNG
(US8592581, 8)
Show SMILES CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(19-12-7-6-8-12)14-16(22-17)23(9-18-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,19,20,21,22)/t11-,13+/m1/s1
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n/an/a 160n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106960
PNG
(US8592581, 11)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(nc2)C(F)(F)F)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H26F3N7O/c1-5-14(12(4)31)27-19-28-17(16-18(29-19)30(10-26-16)11(2)3)25-9-13-6-7-15(24-8-13)20(21,22)23/h6-8,10-12,14,31H,5,9H2,1-4H3,(H2,25,27,28,29)/t12-,14+/m1/s1
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n/an/a 250n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106955
PNG
(US8592581, 6)
Show SMILES CC[C@H](Nc1nc(NC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C16H26N6O/c1-5-12(10(4)23)19-16-20-14(18-11-6-7-11)13-15(21-16)22(8-17-13)9(2)3/h8-12,23H,5-7H2,1-4H3,(H2,18,19,20,21)/t10-,12+/m1/s1
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n/an/a 270n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106963
PNG
(US8592581, 14)
Show SMILES C[C@@H](O)CNc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C17H23N7O/c1-11(2)24-10-21-14-15(19-9-13-5-4-6-18-8-13)22-17(23-16(14)24)20-7-12(3)25/h4-6,8,10-12,25H,7,9H2,1-3H3,(H2,19,20,22,23)/t12-/m1/s1
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n/an/a 290n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106956
PNG
(US8592581, 7)
Show SMILES CC[C@H](Nc1nc(NCC2CC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(18-8-12-6-7-12)14-16(22-17)23(9-19-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,18,20,21,22)/t11-,13+/m1/s1
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n/an/a 380n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358237
PNG
(CHEMBL1922211 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m0/s1
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n/an/a 390n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358212
PNG
(CHEMBL1922218 | US8846696, (2S3R)-3-{9-Isopropyl-6...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106957
PNG
(US8592581, 8)
Show SMILES CC[C@H](Nc1nc(NC2CCC2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C17H28N6O/c1-5-13(11(4)24)20-17-21-15(19-12-7-6-8-12)14-16(22-17)23(9-18-14)10(2)3/h9-13,24H,5-8H2,1-4H3,(H2,19,20,21,22)/t11-,13+/m1/s1
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n/an/a 500n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106951
PNG
(US8592581, 2)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(22-10-15-8-7-13(4)21-9-15)17-19(26-20)27(11-23-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,22,24,25,26)/t14-,16+/m1/s1
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n/an/a 520n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106964
PNG
(US8592581, 15)
Show SMILES CC(C)n1cnc2c(NCc3cccnc3)nc(NCC(O)C(F)(F)F)nc12
Show InChI InChI=1S/C17H20F3N7O/c1-10(2)27-9-24-13-14(22-7-11-4-3-5-21-6-11)25-16(26-15(13)27)23-8-12(28)17(18,19)20/h3-6,9-10,12,28H,7-8H2,1-2H3,(H2,22,23,25,26)
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n/an/a 570n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106958
PNG
(US8592581, 9)
Show SMILES CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-6-8-20-9-7-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 610n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106962
PNG
(US8592581, 13)
Show SMILES CC[C@H](Nc1nc(NCc2ncccc2C)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(14(5)28)24-20-25-18(22-10-16-13(4)8-7-9-21-16)17-19(26-20)27(11-23-17)12(2)3/h7-9,11-12,14-15,28H,6,10H2,1-5H3,(H2,22,24,25,26)/t14-,15+/m1/s1
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n/an/a 770n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106954
PNG
(US8592581, 5)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H27N7O/c1-3-16(13(2)28)24-20-25-18(22-10-15-5-4-8-21-9-15)17-19(26-20)27(12-23-17)11-14-6-7-14/h4-5,8-9,12-14,16,28H,3,6-7,10-11H2,1-2H3,(H2,22,24,25,26)/t13-,16+/m1/s1
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n/an/a 830n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106959
PNG
(US8592581, 10)
Show SMILES CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-23-18)12(2)3)22-10-16-8-13(4)24-14(5)9-16/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,22,25,26,27)/t15-,17+/m1/s1
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Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358221
PNG
(CHEMBL1922120 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM50358236
PNG
(CHEMBL1922210 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m0/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358235
PNG
(CHEMBL1922209 | US8846696, (3RS,4S)-4-{9-Isopropyl...)
Show SMILES CCC(O)[C@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H29N7O/c1-5-15(16(28)6-2)24-20-25-18(22-11-14-8-7-9-21-10-14)17-19(26-20)27(12-23-17)13(3)4/h7-10,12-13,15-16,28H,5-6,11H2,1-4H3,(H2,22,24,25,26)/t15-,16?/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358223
PNG
(CHEMBL1922122 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)(C)C
Show InChI InChI=1S/C22H33N7O/c1-7-16(18(30)22(4,5)6)26-21-27-19(24-12-15-9-8-10-23-11-15)17-20(28-21)29(13-25-17)14(2)3/h8-11,13-14,16,18,30H,7,12H2,1-6H3,(H2,24,26,27,28)/t16-,18?/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106961
PNG
(US8592581, 12)
Show SMILES CC[C@H](Nc1nc(NCc2cccc(C)n2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(21-10-15-9-7-8-13(4)23-15)17-19(26-20)27(11-22-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,21,24,25,26)/t14-,16+/m1/s1
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n/an/a 2.04E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 9


(Homo sapiens (human))
BDBM106965
PNG
(US8592581, 16)
Show SMILES CCC(Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(F)(F)F
Show InChI InChI=1S/C19H24F3N7O/c1-4-13(15(30)19(20,21)22)26-18-27-16(24-9-12-6-5-7-23-8-12)14-17(28-18)29(10-25-14)11(2)3/h5-8,10-11,13,15,30H,4,9H2,1-3H3,(H2,24,26,27,28)
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n/an/a 2.14E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (human))
BDBM50358213
PNG
(CHEMBL1922219 | US8846696, (2R3S)-3-{9-Isopropyl-6...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358222
PNG
(CHEMBL1922121 | US8846696, (3RS,4R)-4-{9-Isopropyl...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(O)C(C)C
Show InChI InChI=1S/C21H31N7O/c1-6-16(18(29)13(2)3)25-21-26-19(23-11-15-8-7-9-22-10-15)17-20(27-21)28(12-24-17)14(4)5/h7-10,12-14,16,18,29H,6,11H2,1-5H3,(H2,23,25,26,27)/t16-,18?/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358211
PNG
(CHEMBL1922212 | US8846696, (3S)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m0/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
CDK7/Cyclin H/MNAT1


(Homo sapiens (human))
BDBM50358210
PNG
(CHEMBL1922123 | US8846696, (3R)-3-{9-Isopropyl-6-[...)
Show SMILES CC[C@@H](Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1)C(C)(C)O
Show InChI InChI=1S/C20H29N7O/c1-6-15(20(4,5)28)24-19-25-17(22-11-14-8-7-9-21-10-14)16-18(26-19)27(12-23-16)13(2)3/h7-10,12-13,15,28H,6,11H2,1-5H3,(H2,22,24,25,26)/t15-/m1/s1
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n/an/a 3.10E+3n/an/an/an/an/an/a



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
The compounds from the examples below were investigated for their CDK2/cyclin E, CDK1/cyclin B, CDK4/cyclin D1 and CDK7/cyclin H, ERK-2, and PKA inhi...


US Patent US8846696 (2014)


BindingDB Entry DOI: 10.7270/Q2Z31XCT
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (human))
BDBM106951
PNG
(US8592581, 2)
Show SMILES CC[C@H](Nc1nc(NCc2ccc(C)nc2)c2ncn(C(C)C)c2n1)[C@@H](C)O
Show InChI InChI=1S/C20H29N7O/c1-6-16(14(5)28)24-20-25-18(22-10-15-8-7-13(4)21-9-15)17-19(26-20)27(11-23-17)12(2)3/h7-9,11-12,14,16,28H,6,10H2,1-5H3,(H2,22,24,25,26)/t14-,16+/m1/s1
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n/an/a 3.25E+3n/an/an/an/a7.530



Cyclacel Limited; Cancer Research Technology Limited

US Patent


Assay Description
To evaluate the in-vitro kinase potency of the compounds, they were screened against CDK 2 and CDK9. Kinase assays were performed in 96-well plates u...


US Patent US8592581 (2013)


BindingDB Entry DOI: 10.7270/Q25X27J9
More data for this
Ligand-Target Pair
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