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Compile Data Set for Download or QSAR

Found 9518 hits Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2'   
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 2


(Homo sapiens (Human))
BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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n/an/an/an/a 9n/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM59253
PNG
(RGB-285961)
Show SMILES CC(C)c1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(Cc3ccc(OC(C)(C)C(O)=O)cc3)[nH]c(=O)c12 |(10.12,4.57,;8.61,4.25,;7.58,5.4,;8.13,2.79,;9.04,1.54,;8.13,.29,;8.61,-1.17,;10.1,-1.57,;11.19,-.48,;10.5,-3.06,;9.41,-4.15,;10.18,-5.48,;7.92,-3.75,;7.52,-2.26,;6.03,-1.86,;6.67,.77,;5.33,,;4,.77,;2.67,,;2.67,-1.54,;1.33,-2.31,;1.33,-3.85,;2.67,-4.62,;2.67,-6.16,;4,-6.93,;4,-8.47,;5.33,-7.7,;5.33,-6.16,;6.67,-6.93,;5.33,-4.62,;4,-3.85,;4,-2.31,;4,2.31,;5.33,3.08,;5.33,4.62,;6.67,2.31,)|
Show InChI InChI=1S/C25H23Cl3N4O4/c1-12(2)20-19-22(32(31-20)21-16(27)10-14(26)11-17(21)28)29-18(30-23(19)33)9-13-5-7-15(8-6-13)36-25(3,4)24(34)35/h5-8,10-12H,9H2,1-4H3,(H,34,35)(H,29,30,33)
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n/an/a 20n/a 70n/an/an/an/a



GPC Biotech Incorporated



Assay Description
CAII assays were performed at CEREP (paris). All other kinase assays were performed at Upstate (Dundee, UK).


Chem Biol 13: 711-22 (2006)


Article DOI: 10.1016/j.chembiol.2006.05.008
BindingDB Entry DOI: 10.7270/Q2WM1BT5
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM253941
PNG
(US9464092, GG | US9527857, GG)
Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM253928
PNG
(US10189849, Compound 27 | US10927120, Compound 27 ...)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1
Show InChI InChI=1S/C24H30N8O/c1-30-9-11-31(12-10-30)18-5-6-20(25-15-18)28-23-26-14-17-13-19-22(33)27-16-24(7-3-2-4-8-24)32(19)21(17)29-23/h5-6,13-15H,2-4,7-12,16H2,1H3,(H,27,33)(H,25,26,28,29)
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of human CDK2/cyclin E


Bioorg Med Chem Lett 29: (2019)


Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM370258
PNG
(BDBM467153 | US10233188, Example 145)
Show SMILES CS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n(C3CCCC3)c2n1
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TBA



Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498218
PNG
(US11014911, Example 43 | US11718603, Example 43)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498218
PNG
(US11014911, Example 43 | US11718603, Example 43)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1 |r|
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0.0400n/an/an/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498217
PNG
(US11014911, Example 42 | US11718603, Example 42)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498217
PNG
(US11014911, Example 42 | US11718603, Example 42)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370115
PNG
(4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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0.0600n/an/an/an/an/an/an/an/a



CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370149
PNG
(US10233188, Example 37 | US10800783, Example 37 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O |r|
Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370149
PNG
(US10233188, Example 37 | US10800783, Example 37 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O |r|
Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498324
PNG
(US11014911, Example 149 | US11718603, Example 149)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2[C@@H](C)C[C@@H]2C)ccn1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498324
PNG
(US11014911, Example 149 | US11718603, Example 149)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2[C@@H](C)C[C@@H]2C)ccn1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370149
PNG
(US10233188, Example 37 | US10800783, Example 37 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C)c1=O |r|
Show InChI InChI=1S/C20H29N5O3S/c1-13-5-4-6-17(13)25-18-15(11-14(2)19(25)26)12-21-20(23-18)22-16-7-9-24(10-8-16)29(3,27)28/h11-13,16-17H,4-10H2,1-3H3,(H,21,22,23)/t13-,17+/m0/s1
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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370115
PNG
(4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370115
PNG
(4-({6-(2-hydroxyethyl)-8-[(1R,2S)-2-methylcyclopen...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CCO)c(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C21H32N6O4S/c1-14-4-3-5-18(14)27-19-16(12-15(8-11-28)20(27)29)13-23-21(25-19)24-17-6-9-26(10-7-17)32(30,31)22-2/h12-14,17-18,22,28H,3-11H2,1-2H3,(H,23,24,25)/t14-,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498321
PNG
(US11014911, Example 146 | US11718603, Example 146)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)ccn1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498778
PNG
((1R,3S)-3-(3-{[(3-methyl-1,2- oxazol-5-yl)acetyl]...)
Show SMILES CCC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498321
PNG
(US11014911, Example 146 | US11718603, Example 146)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)ccn1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498778
PNG
((1R,3S)-3-(3-{[(3-methyl-1,2- oxazol-5-yl)acetyl]...)
Show SMILES CCC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370197
PNG
(US10233188, Example 84 | US10800783, Example 84 | ...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-17(22)29-19(30)6-5-15-12-23-21(26-20(15)29)25-16-7-10-28(11-8-16)34(32,33)18-13-27(2)14-24-18/h5-6,12-14,16-17,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t17-,22-/m1/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498778
PNG
((1R,3S)-3-(3-{[(3-methyl-1,2- oxazol-5-yl)acetyl]...)
Show SMILES CCC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370152
PNG
(US10233188, Example 40 | US10800783, Example 40 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370197
PNG
(US10233188, Example 84 | US10800783, Example 84 | ...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-17(22)29-19(30)6-5-15-12-23-21(26-20(15)29)25-16-7-10-28(11-8-16)34(32,33)18-13-27(2)14-24-18/h5-6,12-14,16-17,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t17-,22-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370205
PNG
(US10233188, Example 92 | US10800783, Example 92 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370300
PNG
(BDBM467195 | US10233188, Example 187)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(C(F)F)c1=O |r|
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370300
PNG
(BDBM467195 | US10233188, Example 187)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(C(F)F)c1=O |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498316
PNG
(US11014911, Example 141 | US11718603, Example 141)
Show SMILES C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498295
PNG
(US11014911, Example 120 | US11014911, Example 121 ...)
Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498778
PNG
((1R,3S)-3-(3-{[(3-methyl-1,2- oxazol-5-yl)acetyl]...)
Show SMILES CCC1(C)CCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(C)no2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370152
PNG
(US10233188, Example 40 | US10800783, Example 40 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370205
PNG
(US10233188, Example 92 | US10800783, Example 92 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370197
PNG
(US10233188, Example 84 | US10800783, Example 84 | ...)
Show SMILES Cn1cnc(c1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-17(22)29-19(30)6-5-15-12-23-21(26-20(15)29)25-16-7-10-28(11-8-16)34(32,33)18-13-27(2)14-24-18/h5-6,12-14,16-17,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t17-,22-/m1/s1
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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370205
PNG
(US10233188, Example 92 | US10800783, Example 92 | ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(C)(=O)=O)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O |r|
Show InChI InChI=1S/C20H29N5O4S/c1-13-11-14-12-21-19(22-15-6-9-24(10-7-15)30(3,28)29)23-17(14)25(18(13)26)16-5-4-8-20(16,2)27/h11-12,15-16,27H,4-10H2,1-3H3,(H,21,22,23)/t16-,20-/m1/s1
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Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498316
PNG
(US11014911, Example 141 | US11718603, Example 141)
Show SMILES C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370300
PNG
(BDBM467195 | US10233188, Example 187)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(C(F)F)c1=O |r|
PDB

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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498295
PNG
(US11014911, Example 120 | US11014911, Example 121 ...)
Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|
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Citation and Details

BindingDB Entry DOI: 10.7270/Q22F7SJ2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370152
PNG
(US10233188, Example 40 | US10800783, Example 40 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O |r|
Show InChI InChI=1S/C21H31N5O4S/c1-14-4-3-5-18(14)26-19-16(12-15(8-11-27)20(26)28)13-22-21(24-19)23-17-6-9-25(10-7-17)31(2,29)30/h12-14,17-18,27H,3-11H2,1-2H3,(H,22,23,24)/t14-,18+/m0/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370207
PNG
(US10233188, Example 94 | US10800783, Example 94 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C20H30N6O4S/c1-13-11-14-12-22-19(23-15-6-9-25(10-7-15)31(29,30)21-3)24-17(14)26(18(13)27)16-5-4-8-20(16,2)28/h11-12,15-16,21,28H,4-10H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2


(Homo sapiens (Human))
BDBM370121
PNG
(6-(difluoromethyl)-8-[(1R,2R)-2-hydroxy-2-methylcy...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(C(F)F)c1=O |r|
Show InChI InChI=1S/C20H27F2N5O4S/c1-20(29)7-3-4-15(20)27-17-12(10-14(16(21)22)18(27)28)11-23-19(25-17)24-13-5-8-26(9-6-13)32(2,30)31/h10-11,13,15-16,29H,3-9H2,1-2H3,(H,23,24,25)/t15-,20-/m1/s1
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TBA

Assay Description
Antagonist activity against CCK2 receptor estimated from single shifts of pentagastrin concentration-effect curves in the isolated rat stomach


Citation and Details
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370147
PNG
(US10233188, Example 36 | US10800783, Example 36 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370156
PNG
(US10233188, Example 44 | US10800783, Example 44 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1 |r|
Show InChI InChI=1S/C19H28N6O3S/c1-13-4-3-5-16(13)25-17(26)7-6-14-12-21-19(23-18(14)25)22-15-8-10-24(11-9-15)29(27,28)20-2/h6-7,12-13,15-16,20H,3-5,8-11H2,1-2H3,(H,21,22,23)/t13-,16+/m0/s1
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CNRS



Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


J Med Chem 45: 1477-86 (2002)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370207
PNG
(US10233188, Example 94 | US10800783, Example 94 | ...)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1 |r|
Show InChI InChI=1S/C20H30N6O4S/c1-13-11-14-12-22-19(23-15-6-9-25(10-7-15)31(29,30)21-3)24-17(14)26(18(13)27)16-5-4-8-20(16,2)28/h11-12,15-16,21,28H,4-10H2,1-3H3,(H,22,23,24)/t16-,20-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM467013
PNG
((-)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m1/s1
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Pfizer Inc.

US Patent


Assay Description
The purpose of the CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a flu...


US Patent US10800783 (2020)


BindingDB Entry DOI: 10.7270/Q24X5BVD
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498266
PNG
(US11014911, Example 91 | US11718603, Example 91)
Show SMILES C[C@@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2cnnn2C)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498312
PNG
(US11014911, Example 137 | US11718603, Example 137)
Show SMILES CC1(C)CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM498295
PNG
(US11014911, Example 120 | US11014911, Example 121 ...)
Show SMILES CC1(CCOC1)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cc(F)cc(F)c2)n[nH]1 |r|
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Pfizer Inc.

US Patent


Assay Description
The purpose of CDK2/Cyclin E1 assay is to evaluate the inhibition (% inhibition, Kiapp and Ki values) of small molecule inhibitors by using a fluores...


US Patent US11014911 (2021)


BindingDB Entry DOI: 10.7270/Q23N26H2
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM467012
PNG
((+)-6-(2,2-difluoroethyl)-8-[(1R*,2R*)-2-hydroxy-2...)
Show SMILES C[C@]1(O)CCC[C@@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC(F)F)c1=O |r|
Show InChI InChI=1S/C21H29F2N5O4S/c1-21(30)7-3-4-16(21)28-18-14(10-13(19(28)29)11-17(22)23)12-24-20(26-18)25-15-5-8-27(9-6-15)33(2,31)32/h10,12,15-17,30H,3-9,11H2,1-2H3,(H,24,25,26)/t16-,21-/m0/s1
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TBA

Assay Description
Inhibition of recombinant full length wild-type phosphorylated CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as...


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00017
BindingDB Entry DOI: 10.7270/Q2GF0Z4T
More data for this
Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1


(Homo sapiens (Human))
BDBM370147
PNG
(US10233188, Example 36 | US10800783, Example 36 | ...)
Show SMILES C[C@H]1CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O |r|
Show InChI InChI=1S/C19H27N5O3S/c1-13-4-3-5-16(13)24-17(25)7-6-14-12-20-19(22-18(14)24)21-15-8-10-23(11-9-15)28(2,26)27/h6-7,12-13,15-16H,3-5,8-11H2,1-2H3,(H,20,21,22)/t13-,16+/m0/s1
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TBA

Assay Description
The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2KK9G2V
More data for this
Ligand-Target Pair
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