Compile Data Set for Download or QSAR
Found 4036 Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2/G1/S-specific cyclin-E1'
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498218(US11014911, Example 43)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnc3ncsc23)n[nH]1
Affinity DataKi:  0.0400nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498217(US11014911, Example 42)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2C)n[nH]1
Affinity DataKi:  0.0500nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370115(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
Affinity DataKi:  0.0600nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370149(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
Affinity DataKi:  0.0600nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498324(US11014911, 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
Affinity DataKi:  0.0600nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370149(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
Affinity DataKi:  0.0600nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370149(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
Affinity DataKi:  0.0600nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370115(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
Affinity DataKi:  0.0600nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370115(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
Affinity DataKi:  0.0600nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498321(US11014911, Example 146)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)ccn1
Affinity DataKi:  0.0700nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498778((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
Affinity DataKi:  0.0700nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467195(US10800783, Example 187 | US11396512, 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
Affinity DataKi:  0.0800nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370152(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370205(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
Affinity DataKi:  0.0800nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370152(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
Affinity DataKi:  0.0800nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498778((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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498295(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498316(US11014911, Example 141)
Show SMILES C[C@H]1CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467195(US10800783, Example 187 | US11396512, 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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370197(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370205(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370152(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370300(US10233188, Example 187)
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand Info
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370197(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370205(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
Affinity DataKi:  0.0800nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370197(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
Affinity DataKi:  0.0800nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370207(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
Affinity DataKi:  0.0900nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370156(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370147(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
Affinity DataKi:  0.0900nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370156(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
Affinity DataKi:  0.0900nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498266(US11014911, 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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498273(US11014911, Example 98 | US11014911, Example 99)
Show SMILES COc1cc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)NC(C)CC(F)F)ccn1
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498295(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498312(US11014911, Example 137)
Show SMILES CC1(C)CCCN1C(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnc3ncnn3c2)n[nH]1
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467012((+)-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-/m0/s1
Affinity DataKi:  0.0900nMAssay Description:Inhibition of recombinant full length wild-type phosphorylated CDK2/Cyclin E1 (unknown origin) expressed in baculovirus expression system assessed as...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370207(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467013((-)-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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370147(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370156(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370207(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370119(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370147(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
Affinity DataKi:  0.0900nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467013((-)-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
Affinity DataKi:  0.0900nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM467191(US10800783, Example 183 | US11396512, 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
Affinity DataKi:  0.100nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370223(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
Affinity DataKi:  0.100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM370223(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
Affinity DataKi:  0.100nMAssay Description:The mobility shift assay electrophoretically separates the fluorescently labeled peptides (substrate and phosphorylated product) following the kinase...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498319(US11014911, Example 144)
Show SMILES COc1ccc(CC(=O)Nc2cc([nH]n2)[C@H]2CC[C@H](C2)OC(=O)N2CCC2(C)C)cn1
Affinity DataKi:  0.100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498258(US11014911, Example 83 | US11014911, Example 84)
Show SMILES CC(CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnco2)n[nH]1
Affinity DataKi:  0.100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498267(US11014911, Example 92)
Show SMILES C[C@@H](CC(F)(F)F)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)Cc2cnn(C)c2)n[nH]1
Affinity DataKi:  0.100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
Pfizer Inc.

US Patent
LigandPNGBDBM498228(US11014911, Example 53)
Show SMILES CC[C@H](C)NC(=O)O[C@@H]1CC[C@@H](C1)c1cc(NC(=O)c2ccnn2CCO)n[nH]1
Affinity DataKi:  0.100nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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