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Compile Data Set for Download or QSAR

Found 2681 hits Enz. Inhib. hit(s) with Target = 'CDK2/CycE'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
CDK2/CycE


(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
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



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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
PDB

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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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM467195
PNG
(US10800783, Example 187)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(C(F)F)c1=O
Show InChI InChI=1S/C19H26F2N6O4S/c1-19(29)6-2-3-14(19)27-16-11(9-13(15(20)21)17(27)28)10-23-18(25-16)24-12-4-7-26(8-5-12)32(22,30)31/h9-10,12,14-15,29H,2-8H2,1H3,(H2,22,30,31)(H,23,24,25)/t14-,19-/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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370300
PNG
(US10233188, Example 187)
PDB

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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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370119
PNG
(US10233188, Example 8)
Show SMILES CNS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(CC(F)F)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C21H30F2N6O4S/c1-21(31)7-3-4-16(21)29-18-14(10-13(19(29)30)11-17(22)23)12-25-20(27-18)26-15-5-8-28(9-6-15)34(32,33)24-2/h10,12,15-17,24,31H,3-9,11H2,1-2H3,(H,25,26,27)/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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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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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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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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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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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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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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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
PDB

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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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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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0.0900n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370195
PNG
(US10233188, Example 82 | US10800783, Example 82)
Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-18(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)17-13-24-27(2)14-17/h5-6,12-14,16,18,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t18-,22-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370223
PNG
(US10233188, Example 110 | US10800783, Example 110)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370223
PNG
(US10233188, Example 110 | US10800783, Example 110)
Show SMILES CCS(=O)(=O)N1CCC(CC1)Nc1ncc2cc(C)c(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-4-31(29,30)25-10-7-16(8-11-25)23-20-22-13-15-12-14(2)19(27)26(18(15)24-20)17-6-5-9-21(17,3)28/h12-13,16-17,28H,4-11H2,1-3H3,(H,22,23,24)/t17-,21-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM467191
PNG
(US10800783, Example 183)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2ccc1=O
Show InChI InChI=1S/C18H26N6O4S/c1-18(26)8-2-3-14(18)24-15(25)5-4-12-11-20-17(22-16(12)24)21-13-6-9-23(10-7-13)29(19,27)28/h4-5,11,13-14,26H,2-3,6-10H2,1H3,(H2,19,27,28)(H,20,21,22)/t14-,18-/m1/s1
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0.100n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370195
PNG
(US10233188, Example 82 | US10800783, Example 82)
Show SMILES Cn1cc(cn1)S(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@]3(C)O)c2n1
Show InChI InChI=1S/C22H29N7O4S/c1-22(31)9-3-4-18(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)17-13-24-27(2)14-17/h5-6,12-14,16,18,31H,3-4,7-11H2,1-2H3,(H,23,25,26)/t18-,22-/m1/s1
PDB

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0.100n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370296
PNG
(US10233188, Example 183)
PDB

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0.100n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
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0.110n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370235
PNG
(US10233188, Example 122 | US10800783, Example 122)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CCO)c1=O
Show InChI InChI=1S/C21H31N5O5S/c1-21(29)8-3-4-17(21)26-18-15(12-14(7-11-27)19(26)28)13-22-20(24-18)23-16-5-9-25(10-6-16)32(2,30)31/h12-13,16-17,27,29H,3-11H2,1-2H3,(H,22,23,24)/t17-,21-/m1/s1
PDB

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0.110n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370225
PNG
(US10233188, Example 112 | US10800783, Example 112)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C22H31N5O4S/c1-14-12-15-13-23-21(24-16-7-10-26(11-8-16)32(30,31)17-5-6-17)25-19(15)27(20(14)28)18-4-3-9-22(18,2)29/h12-13,16-18,29H,3-11H2,1-2H3,(H,23,24,25)/t18-,22-/m1/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(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
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
PDB

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0.120n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370164
PNG
(US10233188, Example 52 | US10800783, Example 52)
Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-15-4-3-5-18(15)26-19(27)7-6-16-14-22-21(24-20(16)26)23-17-8-10-25(11-9-17)31(28,29)13-12-30-2/h6-7,14-15,17-18H,3-5,8-13H2,1-2H3,(H,22,23,24)/t15-,18+/m0/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370164
PNG
(US10233188, Example 52 | US10800783, Example 52)
Show SMILES COCCS(=O)(=O)N1CCC(CC1)Nc1ncc2ccc(=O)n([C@@H]3CCC[C@@H]3C)c2n1
Show InChI InChI=1S/C21H31N5O4S/c1-15-4-3-5-18(15)26-19(27)7-6-16-14-22-21(24-20(16)26)23-17-8-10-25(11-9-17)31(28,29)13-12-30-2/h6-7,14-15,17-18H,3-5,8-13H2,1-2H3,(H,22,23,24)/t15-,18+/m0/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(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
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
PDB

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0.120n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370241
PNG
(US10233188, Example 128 | US10800783, Example 128)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Cl)c1=O
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)6-2-3-14(18)25-15-11(9-13(19)16(25)26)10-21-17(23-15)22-12-4-7-24(8-5-12)30(20,28)29/h9-10,12,14,27H,2-8H2,1H3,(H2,20,28,29)(H,21,22,23)/t14-,18-/m1/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM467209
PNG
(US10800783, Example 201)
Show SMILES C[C@@H]1[C@H](O)CC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O
Show InChI InChI=1S/C19H27N5O4S/c1-12-15(4-5-16(12)25)24-17(26)6-3-13-11-20-19(22-18(13)24)21-14-7-9-23(10-8-14)29(2,27)28/h3,6,11-12,14-16,25H,4-5,7-10H2,1-2H3,(H,20,21,22)/t12-,15+,16+/m0/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370225
PNG
(US10233188, Example 112 | US10800783, Example 112)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C22H31N5O4S/c1-14-12-15-13-23-21(24-16-7-10-26(11-8-16)32(30,31)17-5-6-17)25-19(15)27(20(14)28)18-4-3-9-22(18,2)29/h12-13,16-18,29H,3-11H2,1-2H3,(H,23,24,25)/t18-,22-/m1/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370241
PNG
(US10233188, Example 128 | US10800783, Example 128)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(N)(=O)=O)ncc2cc(Cl)c1=O
Show InChI InChI=1S/C18H25ClN6O4S/c1-18(27)6-2-3-14(18)25-15-11(9-13(19)16(25)26)10-21-17(23-15)22-12-4-7-24(8-5-12)30(20,28)29/h9-10,12,14,27H,2-8H2,1H3,(H2,20,28,29)(H,21,22,23)/t14-,18-/m1/s1
PDB

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0.120n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370314
PNG
(US10233188, Example 201)
PDB

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0.120n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM467229
PNG
(US10800783, Example 221)
Show SMILES C[C@@H]1[C@H](O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2ccc1=O
Show InChI InChI=1S/C20H29N5O4S/c1-13-16(4-3-5-17(13)26)25-18(27)7-6-14-12-21-20(23-19(14)25)22-15-8-10-24(11-9-15)30(2,28)29/h6-7,12-13,15-17,26H,3-5,8-11H2,1-2H3,(H,21,22,23)/t13-,16+,17+/m0/s1
PDB

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0.130n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370334
PNG
(US10233188, Example 221)
PDB

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0.130n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370217
PNG
(US10233188, Example 104 | US10800783, Example 104)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1
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US Patent
0.140n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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US Patent
0.140n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370217
PNG
(US10233188, Example 104 | US10800783, Example 104)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)NCC(C)(F)F)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C22H32F2N6O4S/c1-14-11-15-12-25-20(28-18(15)30(19(14)31)17-5-4-8-21(17,2)32)27-16-6-9-29(10-7-16)35(33,34)26-13-22(3,23)24/h11-12,16-17,26,32H,4-10,13H2,1-3H3,(H,25,27,28)/t17-,21-/m1/s1
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UniChem
US Patent
0.140n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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US Patent
0.140n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370229
PNG
(US10233188, Example 116 | US10800783, Example 116)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C23H33N5O4S/c1-15-12-17-13-24-22(26-20(17)28(21(15)29)19-4-3-9-23(19,2)30)25-18-7-10-27(11-8-18)33(31,32)14-16-5-6-16/h12-13,16,18-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t19-,23-/m1/s1
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US Patent
0.150n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370229
PNG
(US10233188, Example 116 | US10800783, Example 116)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)CC3CC3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C23H33N5O4S/c1-15-12-17-13-24-22(26-20(17)28(21(15)29)19-4-3-9-23(19,2)30)25-18-7-10-27(11-8-18)33(31,32)14-16-5-6-16/h12-13,16,18-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t19-,23-/m1/s1
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US Patent
0.150n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370219
PNG
(US10233188, Example 106 | US10233188, Example 109 ...)
Show SMILES Cc1cc2cnc(NC3CCN(CC3)S(=O)(=O)C3CCS(=O)(=O)C3)nc2n([C@@H]2CCC[C@@]2(C)O)c1=O
Show InChI InChI=1S/C23H33N5O6S2/c1-15-12-16-13-24-22(26-20(16)28(21(15)29)19-4-3-8-23(19,2)30)25-17-5-9-27(10-6-17)36(33,34)18-7-11-35(31,32)14-18/h12-13,17-19,30H,3-11,14H2,1-2H3,(H,24,25,26)/t18?,19-,23-/m1/s1
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US Patent
0.160n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370120
PNG
(6-chloro-8-[(1R,2R)-2-hydroxy-2-methylcyclopentyl]...)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(Cl)c1=O
Show InChI InChI=1S/C19H26ClN5O4S/c1-19(27)7-3-4-15(19)25-16-12(10-14(20)17(25)26)11-21-18(23-16)22-13-5-8-24(9-6-13)30(2,28)29/h10-11,13,15,27H,3-9H2,1-2H3,(H,21,22,23)/t15-,19-/m1/s1
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US Patent
0.160n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370233
PNG
(US10233188, Example 120 | US10800783, Example 120)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC#N)c1=O
Show InChI InChI=1S/C21H28N6O4S/c1-21(29)8-3-4-17(21)27-18-15(12-14(5-9-22)19(27)28)13-23-20(25-18)24-16-6-10-26(11-7-16)32(2,30)31/h12-13,16-17,29H,3-8,10-11H2,1-2H3,(H,23,24,25)/t17-,21-/m1/s1
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US Patent
0.160n/an/an/an/an/an/an/an/a



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)

More data for this
Ligand-Target Pair
CDK2/CycE


(Homo sapiens (Human))
BDBM370233
PNG
(US10233188, Example 120 | US10800783, Example 120)
Show SMILES C[C@@]1(O)CCC[C@H]1n1c2nc(NC3CCN(CC3)S(C)(=O)=O)ncc2cc(CC#N)c1=O
Show InChI InChI=1S/C21H28N6O4S/c1-21(29)8-3-4-17(21)27-18-15(12-14(5-9-22)19(27)28)13-23-20(25-18)24-16-6-10-26(11-7-16)32(2,30)31/h12-13,16-17,29H,3-8,10-11H2,1-2H3,(H,23,24,25)/t17-,21-/m1/s1
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US Patent
0.160n/an/an/an/an/an/an/an/a



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 US10233188 (2019)


BindingDB Entry DOI: 10.7270/Q2FX7CSG
More data for this
Ligand-Target Pair
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