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31 similar compounds to monomer 50420298

Compile data set for download or QSAR
Wt: 382.5
BDBM7518
Wt: 368.4
BDBM7523
Wt: 397.5
BDBM106950
Wt: 383.4
BDBM106951
Wt: 383.4
BDBM50358221
Wt: 397.5
BDBM50358222
Wt: 411.5
BDBM50358223
Wt: 368.4
BDBM50358225
Wt: 382.5
BDBM50358226
Wt: 396.5
BDBM50358227
Wt: 410.5
BDBM50358228
Wt: 383.4
BDBM50358235
Wt: 397.5
BDBM50358236
Wt: 411.5
BDBM50358237
Wt: 368.4
BDBM50358238
Displayed 1 to 15 (of 31 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 89 hits for monomerid = 7518,7523,106950,106951,50358221,50358222,50358223,50358225,50358226,50358227,50358228,50358235,50358236,50358237,50358238   
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 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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n/an/a 2.50E+3n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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n/an/a 2.30E+3n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 1 (CDK1)


(Marthasterias glacialis (starfish))
BDBM7523
PNG
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)
Show SMILES CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25)
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n/an/a 900n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 5 (CDK5)


(Homo sapiens (Human))
BDBM7523
PNG
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)
Show SMILES CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25)
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n/an/a 400n/an/an/an/an/a30



Institut Curie



Assay Description
Kinase activities were assayed in buffers containing substrate, enzyme, and inhibitor at 30 °C in the presence of 15 uM ATP/ [gamma-32P] ATP. 32...


Bioorg Med Chem 7: 1281-93 (1999)


Article DOI: 10.1016/S0968-0896(99)00064-4
BindingDB Entry DOI: 10.7270/Q23776X6
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))
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))
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))
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
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 9


(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 3.63E+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 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/a7.4n/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))
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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US Patent
n/an/a 110n/an/an/an/a7.4n/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))
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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US Patent
n/an/a 690n/an/an/an/a7.4n/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/a7.4n/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))
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/a7.4n/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))
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/a7.4n/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 1


(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 1.20E+4n/an/an/an/a7.4n/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 1


(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 1.30E+4n/an/an/an/a7.4n/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 1


(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 2.00E+4n/an/an/an/a7.4n/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 1


(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 2.20E+4n/an/an/an/a7.4n/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 1


(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 2.30E+4n/an/an/an/a7.4n/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 1


(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 2.10E+4n/an/an/an/a7.4n/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 4


(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 2.50E+4n/an/an/an/a7.4n/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 4


(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 1.10E+4n/an/an/an/a7.4n/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 4


(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 2.10E+4n/an/an/an/a7.4n/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 4


(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 3.10E+4n/an/an/an/a7.4n/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 4


(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 2.40E+4n/an/an/an/a7.4n/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 4


(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 1.30E+4n/an/an/an/a7.4n/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))
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/a7.4n/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/a7.4n/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/a7.4n/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))
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 3.50E+3n/an/an/an/a7.4n/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/a7.4n/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))
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 3.50E+3n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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>2.00E+5n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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>2.00E+5n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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 2.00E+5n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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>2.00E+5n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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>2.00E+5n/an/an/an/a7.4n/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
cAMP-dependent protein kinase (PKA)


(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>2.00E+5n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 3.70E+4n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 1.70E+4n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 1.11E+5n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 6.70E+4n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 5.10E+4n/an/an/an/a7.4n/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
Mitogen-activated protein kinase 1


(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 2.30E+4n/an/an/an/a7.4n/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 1


(Homo sapiens (Human))
BDBM7518
PNG
(2,6,9-Trisubstituted purine deriv. 13 | 2-{[6-(ben...)
Show SMILES CCCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C21H30N6O/c1-4-5-11-17(13-28)24-21-25-19(22-12-16-9-7-6-8-10-16)18-20(26-21)27(14-23-18)15(2)3/h6-10,14-15,17,28H,4-5,11-13H2,1-3H3,(H2,22,24,25,26)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1)


J Med Chem 43: 4098-108 (2000)


Article DOI: 10.1021/jm000965t
BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 1


(Homo sapiens (Human))
BDBM7523
PNG
(2,6,9-Trisubstituted purine deriv. 18 | 2-{[6-(ben...)
Show SMILES CCCC(CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
Show InChI InChI=1S/C20H28N6O/c1-4-8-16(12-27)23-20-24-18(21-11-15-9-6-5-7-10-15)17-19(25-20)26(13-22-17)14(2)3/h5-7,9-10,13-14,16,27H,4,8,11-12H2,1-3H3,(H2,21,23,24,25)
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n/an/a 900n/an/an/an/an/an/a



Institut Curie

Curated by ChEMBL


Assay Description
Inhibition of Cyclin-dependent kinase 1 (CDK1)


J Med Chem 43: 4098-108 (2000)


Article DOI: 10.1021/jm000965t
BindingDB Entry DOI: 10.7270/Q24B321Q
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(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



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair
Cyclin-Dependent Kinase 7 (CDK7)


(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



Institute of Cancer Research

Curated by ChEMBL


Assay Description
Inhibition of CDK7/cyclin H


Bioorg Med Chem 19: 6949-65 (2011)


Article DOI: 10.1016/j.bmc.2011.08.051
BindingDB Entry DOI: 10.7270/Q2NP24V1
More data for this
Ligand-Target Pair
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