Compile Data Set for Download or QSAR
Found 2088 Enz. Inhib. hit(s) with Target = 'Cyclin-A2/Cyclin-dependent kinase 2'
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM2579((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Affinity DataKi:  2.90nM ΔG°:  -48.2kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443455(CHEMBL3087448)
Show SMILES Cc1nc(N)sc1-c1nc(Nc2cccc(c2)S(N)(=O)=O)ncc1F
Show InChI InChI=1S/C14H13FN6O2S2/c1-7-12(24-13(16)19-7)11-10(15)6-18-14(21-11)20-8-3-2-4-9(5-8)25(17,22)23/h2-6H,1H3,(H2,16,19)(H2,17,22,23)(H,18,20,21)
Affinity DataKi:  3nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM8336(N-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-...)
Show SMILES O=C(Nc1n[nH]c2nnc(cc12)-c1cccnc1)C1CC1
Show InChI InChI=1S/C14H12N6O/c21-14(8-3-4-8)16-12-10-6-11(9-2-1-5-15-7-9)17-19-13(10)20-18-12/h1-2,5-8H,3-4H2,(H2,16,18,19,20,21)
Affinity DataKi:  5nM ΔG°:  -46.7kJ/molepH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM8337(N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyrida...)
Show SMILES Fc1cccc(c1F)-c1cc2c(NC(=O)C3CCCC3)n[nH]c2nn1
Show InChI InChI=1S/C17H15F2N5O/c18-12-7-3-6-10(14(12)19)13-8-11-15(22-24-16(11)23-21-13)20-17(25)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,20,22,23,24,25)
Affinity DataKi:  5nM ΔG°:  -46.7kJ/molepH: 7.5 T: 2°CAssay Description:In vitro kinase assay using purified CDK2/Cyclin A was incubated at room temperature with substrate, and test compounds in the presence of 100 uM ATP...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM17140((15R,18R)-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1...)
Show SMILES O=C1NC(=O)c2c1c1c3ccccc3n3[C@H]4CC[C@@H](O4)n4c5ccccc5c2c4c13
Show InChI InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)
Affinity DataKi:  5.60nM ΔG°:  -46.6kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443449(CHEMBL3087442)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1F
Show InChI InChI=1S/C18H21FN6O3S2/c1-11-16(29-18(20-2)23-11)15-14(19)10-21-17(25-15)24-12-5-4-6-13(9-12)30(26,27)22-7-8-28-3/h4-6,9-10,22H,7-8H2,1-3H3,(H,20,23)(H,21,24,25)
Affinity DataKi:  6nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50235342(CHEMBL319467 | NU-6102)
Show SMILES NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1
Show InChI InChI=1S/C18H22N6O3S/c19-28(25,26)14-8-6-13(7-9-14)22-18-23-16-15(20-11-21-16)17(24-18)27-10-12-4-2-1-3-5-12/h6-9,11-12H,1-5,10H2,(H2,19,25,26)(H2,20,21,22,23,24)
Affinity DataKi:  6nMAssay Description:Inhibition of human CDK2/Cyclin A expressed in baculovirus infected Sf9 insect cellsMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50279743(CHEMBL4170479)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1nccc(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C14H14N6O2S2/c15-24(21,22)13-4-3-10(23-13)14-16-6-5-11(18-14)17-12-7-9(19-20-12)8-1-2-8/h3-8H,1-2H2,(H2,15,21,22)(H2,16,17,18,19,20)
Affinity DataKi:  7nMAssay Description:Inhibition of hog kidney renin at 10e-9 M concentrationMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM241331(US10479788, Example 175 | US11046688, Example 175 ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C22H26N8O/c1-22(2,3)12-25-19-18-15(8-9-23-19)11-24-21(28-18)27-16-7-6-14(10-17(16)31-5)20-29-26-13-30(20)4/h6-11,13H,12H2,1-5H3,(H,23,25)(H,24,27,28)
Affinity DataKi:  8nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50279733(CHEMBL4174082)
Show SMILES N#Cc1cccc(c1)-c1nc(Nc2cc([nH]n2)C2CC2)c2ccccc2n1
Show InChI InChI=1S/C21H16N6/c22-12-13-4-3-5-15(10-13)20-23-17-7-2-1-6-16(17)21(25-20)24-19-11-18(26-27-19)14-8-9-14/h1-7,10-11,14H,8-9H2,(H2,23,24,25,26,27)
Affinity DataKi:  11nMAssay Description:Inhibition of recombinant CDK2/cyclin A (unknown origin) using MAHHRSPRKRAKKK as substrate by pyruvate kinase-lactate dehydrogenase coupled assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50425005(CHEMBL2312188)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(O)c2)ncc1C#N
Show InChI InChI=1S/C16H14N6OS/c1-9-14(24-16(18-2)20-9)13-10(7-17)8-19-15(22-13)21-11-4-3-5-12(23)6-11/h3-6,8,23H,1-2H3,(H,18,20)(H,19,21,22)
Affinity DataKi:  12nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570309(CHEMBL4868954)
Show SMILES CNc1nc(c(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N7S/c1-24-19-29-17(20(21,22)23)16(31-19)15-6-8-26-18(28-15)27-13-4-2-5-14(12-13)30-10-3-7-25-9-11-30/h2,4-6,8,12,25H,3,7,9-11H2,1H3,(H,24,29)(H,26,27,28)
Affinity DataKi:  14nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50501586(CHEMBL4079469)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
Show InChI InChI=1S/C24H27F3N8OS/c1-15(36)34-10-12-35(13-11-34)17-6-7-19(29-14-17)32-22-28-9-8-18(31-22)20-21(24(25,26)27)33-23(37-20)30-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,30,33)(H,28,29,31,32)
Affinity DataKi:  14nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50501599(CHEMBL4072388)
Show SMILES FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)C=O)n1
Show InChI InChI=1S/C23H25F3N8OS/c24-23(25,26)20-19(36-22(32-20)29-15-3-1-2-4-15)17-7-8-27-21(30-17)31-18-6-5-16(13-28-18)34-11-9-33(14-35)10-12-34/h5-8,13-15H,1-4,9-12H2,(H,29,32)(H,27,28,30,31)
Affinity DataKi:  15nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35641(erk000040 | pyrimidylpyrrole, 2)
Show SMILES Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H23N5O2/c1-16-13-26-24(27-19-10-6-3-7-11-19)29-22(16)18-12-20(25-14-18)23(31)28-21(15-30)17-8-4-2-5-9-17/h2-14,21,25,30H,15H2,1H3,(H,28,31)(H,26,27,29)/t21-/m1/s1
Affinity DataKi:  16nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570317(CHEMBL4863915)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C21H23N7OS/c1-13-8-16(10-17(9-13)28-4-6-29-7-5-28)26-20-24-12-15(11-22)18(27-20)19-14(2)25-21(23-3)30-19/h8-10,12H,4-7H2,1-3H3,(H,23,25)(H,24,26,27)
Affinity DataKi:  16nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50279763(CHEMBL4162308)
Show SMILES NS(=O)(=O)c1ccc(s1)-c1ncc(Cl)c(Nc2cc([nH]n2)C2CC2)n1
Show InChI InChI=1S/C14H13ClN6O2S2/c15-8-6-17-14(10-3-4-12(24-10)25(16,22)23)19-13(8)18-11-5-9(20-21-11)7-1-2-7/h3-7H,1-2H2,(H2,16,22,23)(H2,17,18,19,20,21)
Affinity DataKi:  17nMAssay Description:Inhibition of hog kidney renin at 10e-9 M concentrationMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570310(CHEMBL4876861)
Show SMILES CNc1ncc(s1)-c1ccnc(Nc2cccc(c2)N2CCCNCC2)n1
Show InChI InChI=1S/C19H23N7S/c1-20-19-23-13-17(27-19)16-6-8-22-18(25-16)24-14-4-2-5-15(12-14)26-10-3-7-21-9-11-26/h2,4-6,8,12-13,21H,3,7,9-11H2,1H3,(H,20,23)(H,22,24,25)
Affinity DataKi:  22nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50501587(CHEMBL4066828)
Show SMILES CN1CCN(CC1)c1ccc(Nc2nccc(n2)-c2sc(NC3CCCC3)nc2C(F)(F)F)nc1
Show InChI InChI=1S/C23H27F3N8S/c1-33-10-12-34(13-11-33)16-6-7-18(28-14-16)31-21-27-9-8-17(30-21)19-20(23(24,25)26)32-22(35-19)29-15-4-2-3-5-15/h6-9,14-15H,2-5,10-13H2,1H3,(H,29,32)(H,27,28,30,31)
Affinity DataKi:  22nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443450(CHEMBL3087443)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)NCCOC)ncc1C#N
Show InChI InChI=1S/C19H21N7O3S2/c1-12-17(30-19(21-2)24-12)16-13(10-20)11-22-18(26-16)25-14-5-4-6-15(9-14)31(27,28)23-7-8-29-3/h4-6,9,11,23H,7-8H2,1-3H3,(H,21,24)(H,22,25,26)
Affinity DataKi:  22nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50501588(CHEMBL4102076)
Show SMILES FC(F)(F)c1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCNCC2)n1
Show InChI InChI=1S/C22H25F3N8S/c23-22(24,25)19-18(34-21(32-19)29-14-3-1-2-4-14)16-7-8-27-20(30-16)31-17-6-5-15(13-28-17)33-11-9-26-10-12-33/h5-8,13-14,26H,1-4,9-12H2,(H,29,32)(H,27,28,30,31)
Affinity DataKi:  22nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570295(CHEMBL4854124)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCOCC2)ncc1Cl
Show InChI InChI=1S/C19H21ClN6OS/c1-12-17(28-19(21-2)23-12)16-15(20)11-22-18(25-16)24-13-4-3-5-14(10-13)26-6-8-27-9-7-26/h3-5,10-11H,6-9H2,1-2H3,(H,21,23)(H,22,24,25)
Affinity DataKi:  22nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50567655(CHEMBL4873710)
Show SMILES Fc1ccc(cc1)-c1ccnc2n(nc(-c3ccccc3)c12)-c1ccccc1
Show InChI InChI=1S/C24H16FN3/c25-19-13-11-17(12-14-19)21-15-16-26-24-22(21)23(18-7-3-1-4-8-18)27-28(24)20-9-5-2-6-10-20/h1-16H
Affinity DataKi:  25nMAssay Description:Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50567652(CHEMBL4878693)
Show SMILES COc1ccc(cc1)C(=O)C=CNc1cc(nn1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C25H21N3O2/c1-30-22-14-12-20(13-15-22)24(29)16-17-26-25-18-23(19-8-4-2-5-9-19)27-28(25)21-10-6-3-7-11-21/h2-18,26H,1H3/b17-16-
Affinity DataKi:  25nMAssay Description:Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM17054((2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@@H](O)NC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
Affinity DataKi:  30nM ΔG°:  -42.5kJ/molepH: 7.4 T: 2°CAssay Description:In vitro CDK enzymatic assay using purified CDK mixed with cyclin A, was incubated with substrate, and test compounds in the presence of 1.4 uM ATP/ ...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443457(CHEMBL3087433)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2ccc(cc2)C(=O)NC2CCN(C)CC2)ncc1C#N
Show InChI InChI=1S/C23H26N8OS/c1-14-20(33-23(25-2)27-14)19-16(12-24)13-26-22(30-19)29-17-6-4-15(5-7-17)21(32)28-18-8-10-31(3)11-9-18/h4-7,13,18H,8-11H2,1-3H3,(H,25,27)(H,28,32)(H,26,29,30)
Affinity DataKi:  32nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50567666(CHEMBL4850615)
Show SMILES COc1ccc(cc1)-c1nc2n(nc(-c3ccccc3)c2c(-c2ccc(cc2)N2CCN(C)CC2)c1C#N)-c1ccccc1
Show InChI InChI=1S/C37H32N6O/c1-41-21-23-42(24-22-41)29-17-13-26(14-18-29)33-32(25-38)35(28-15-19-31(44-2)20-16-28)39-37-34(33)36(27-9-5-3-6-10-27)40-43(37)30-11-7-4-8-12-30/h3-20H,21-24H2,1-2H3
Affinity DataKi:  40nMAssay Description:Inhibition of CDK2/Cyclin A2 (unknown origin) after 10 mins by ADP-Glo reagent based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35654(erk000526 | pyrimidylpyrrole, 11b)
Show SMILES Cc1cccc(Nc2ncc(C)c(n2)-c2c[nH]c(c2)C(=O)N[C@H](CO)c2cccc(Cl)c2)c1C
Show InChI InChI=1S/C26H26ClN5O2/c1-15-6-4-9-21(17(15)3)31-26-29-12-16(2)24(32-26)19-11-22(28-13-19)25(34)30-23(14-33)18-7-5-8-20(27)10-18/h4-13,23,28,33H,14H2,1-3H3,(H,30,34)(H,29,31,32)/t23-/m1/s1
Affinity DataKi:  41nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443453(CHEMBL3087447)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(C)CC2)ncc1F
Show InChI InChI=1S/C20H24FN7S/c1-13-18(29-20(22-2)24-13)17-16(21)12-23-19(26-17)25-14-5-4-6-15(11-14)28-9-7-27(3)8-10-28/h4-6,11-12H,7-10H2,1-3H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  41nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM241208(US11046688, Example 50 | US9409907, 50)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnc(C)n1C
Show InChI InChI=1S/C24H29N7O/c1-15-26-13-19(31(15)5)16-7-8-18(20(11-16)32-6)29-23-27-12-17-9-10-25-22(21(17)30-23)28-14-24(2,3)4/h7-13H,14H2,1-6H3,(H,25,28)(H,27,29,30)
Affinity DataKi:  43nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443451(CHEMBL3087444)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(C)(=O)=O)ncc1C#N
Show InChI InChI=1S/C17H16N6O2S2/c1-10-15(26-17(19-2)21-10)14-11(8-18)9-20-16(23-14)22-12-5-4-6-13(7-12)27(3,24)25/h4-7,9H,1-3H3,(H,19,21)(H,20,22,23)
Affinity DataKi:  43nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50113281(AT-7519)
Show SMILES Clc1cccc(Cl)c1C(=O)Nc1c[nH]nc1C(=O)NC1CCNCC1
Show InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
Affinity DataKi:  44nMAssay Description:Inhibition of human full length C-terminal His6-tagged CDK2/N-terminal GST-tagged cyclin A expressed in baculovirus infected Sf21 insect cells using ...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570314(CHEMBL4847048)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCCCCC2)ncc1C#N
Show InChI InChI=1S/C22H25N7S/c1-15-20(30-22(24-2)26-15)19-16(13-23)14-25-21(28-19)27-17-8-7-9-18(12-17)29-10-5-3-4-6-11-29/h7-9,12,14H,3-6,10-11H2,1-2H3,(H,24,26)(H,25,27,28)
Affinity DataKi:  44nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570316(CHEMBL4864851)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCNCC2)ncc1C#N
Show InChI InChI=1S/C21H24N8S/c1-13-8-16(10-17(9-13)29-6-4-24-5-7-29)27-20-25-12-15(11-22)18(28-20)19-14(2)26-21(23-3)30-19/h8-10,12,24H,4-7H2,1-3H3,(H,23,26)(H,25,27,28)
Affinity DataKi:  45nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570315(CHEMBL4845688)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(C)cc(c2)N2CCCCCC2)ncc1C#N
Show InChI InChI=1S/C23H27N7S/c1-15-10-18(12-19(11-15)30-8-6-4-5-7-9-30)28-22-26-14-17(13-24)20(29-22)21-16(2)27-23(25-3)31-21/h10-12,14H,4-9H2,1-3H3,(H,25,27)(H,26,28,29)
Affinity DataKi:  52nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570320(CHEMBL4863852)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C24H28N8O2S/c1-16-22(35-24(26-2)28-16)21-17(14-25)15-27-23(30-21)29-18-11-19(31-3-7-33-8-4-31)13-20(12-18)32-5-9-34-10-6-32/h11-13,15H,3-10H2,1-2H3,(H,26,28)(H,27,29,30)
Affinity DataKi:  55nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443448(CHEMBL3087441)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)S(=O)(=O)N2CCOCC2)ncc1C#N
Show InChI InChI=1S/C20H21N7O3S2/c1-13-18(31-20(22-2)24-13)17-14(11-21)12-23-19(26-17)25-15-4-3-5-16(10-15)32(28,29)27-6-8-30-9-7-27/h3-5,10,12H,6-9H2,1-2H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  55nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35645(pyrimidylpyrrole, 9d)
Show SMILES Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H22FN5O2/c1-15-12-27-24(29-19-10-6-5-9-18(19)25)30-22(15)17-11-20(26-13-17)23(32)28-21(14-31)16-7-3-2-4-8-16/h2-13,21,26,31H,14H2,1H3,(H,28,32)(H,27,29,30)/t21-/m1/s1
Affinity DataKi:  57nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM241335(US9409907, 179)
Show SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(NCC(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C23H28N8O/c1-14-9-16-11-24-22(29-19(16)20(27-14)25-12-23(2,3)4)28-17-8-7-15(10-18(17)32-6)21-30-26-13-31(21)5/h7-11,13H,12H2,1-6H3,(H,25,27)(H,24,28,29)
Affinity DataKi:  65nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443452(CHEMBL3087445)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C19H22FN7S/c1-12-17(28-18(21)23-12)16-15(20)11-22-19(25-16)24-13-4-3-5-14(10-13)27-8-6-26(2)7-9-27/h3-5,10-11H,6-9H2,1-2H3,(H2,21,23)(H,22,24,25)
Affinity DataKi:  68nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35651(pyrimidylpyrrole, 10d)
Show SMILES Cc1cccc(c1)[C@@H](CO)NC(=O)c1cc(c[nH]1)-c1nc(Nc2ccccc2)ncc1C
Show InChI InChI=1S/C25H25N5O2/c1-16-7-6-8-18(11-16)22(15-31)29-24(32)21-12-19(14-26-21)23-17(2)13-27-25(30-23)28-20-9-4-3-5-10-20/h3-14,22,26,31H,15H2,1-2H3,(H,29,32)(H,27,28,30)/t22-/m1/s1
Affinity DataKi:  69nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM8054(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 25 | 4...)
Show SMILES CNc1nc(C)c(s1)-c1ccnc(Nc2ccc(O)cc2)n1
Show InChI InChI=1S/C15H15N5OS/c1-9-13(22-15(16-2)18-9)12-7-8-17-14(20-12)19-10-3-5-11(21)6-4-10/h3-8,21H,1-2H3,(H,16,18)(H,17,19,20)
Affinity DataKi:  70nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35656(erk000650 | pyrimidylpyrrole, 11d)
Show SMILES Cc1cc(Cl)ccc1Nc1ncc(C)c(n1)-c1c[nH]c(c1)C(=O)N[C@H](CO)c1cccc(Cl)c1
Show InChI InChI=1S/C25H23Cl2N5O2/c1-14-8-19(27)6-7-20(14)31-25-29-11-15(2)23(32-25)17-10-21(28-12-17)24(34)30-22(13-33)16-4-3-5-18(26)9-16/h3-12,22,28,33H,13H2,1-2H3,(H,30,34)(H,29,31,32)/t22-/m1/s1
Affinity DataKi:  76nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50501606(CHEMBL4069886)
Show SMILES Cc1nc(NC2CCCC2)sc1-c1ccnc(Nc2ccc(cn2)N2CCN(CC2)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H30N8O2S2/c1-16-21(34-23(26-16)27-17-5-3-4-6-17)19-9-10-24-22(28-19)29-20-8-7-18(15-25-20)30-11-13-31(14-12-30)35(2,32)33/h7-10,15,17H,3-6,11-14H2,1-2H3,(H,26,27)(H,24,25,28,29)
Affinity DataKi:  77nMAssay Description:Inhibition of CDK2/cyclin A (unknown origin) in presence of [gamma-33P]-ATP by KINOMEscan assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50443454(CHEMBL3087446)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc(F)c(n2)-c2sc(N)nc2C)c1
Show InChI InChI=1S/C20H22FN7OS/c1-12-18(30-19(22)24-12)17-16(21)11-23-20(26-17)25-14-4-3-5-15(10-14)28-8-6-27(7-9-28)13(2)29/h3-5,10-11H,6-9H2,1-2H3,(H2,22,24)(H,23,25,26)
Affinity DataKi:  77nMAssay Description:Inhibition of CDK2/Cyclin A (unknown origin) by radiometric assayMore data for this Ligand-Target Pair
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM412656(US10399974, Example 54)
Show SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N[C@@H](C)C(C)(C)C)c2n1)-c1nncn1C
Show InChI InChI=1S/C25H32N8O/c1-8-34-20-12-17(23-32-27-14-33(23)7)9-10-19(20)30-24-26-13-18-11-15(2)28-22(21(18)31-24)29-16(3)25(4,5)6/h9-14,16H,8H2,1-7H3,(H,28,29)(H,26,30,31)/t16-/m0/s1
Affinity DataKi:  77nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand Info
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570298(CHEMBL4875788)
Show SMILES CC(=O)N1CCN(CC1)c1cccc(Nc2ncc3CCc4nc(N)sc4-c3n2)c1
Show InChI InChI=1S/C21H23N7OS/c1-13(29)27-7-9-28(10-8-27)16-4-2-3-15(11-16)24-21-23-12-14-5-6-17-19(18(14)26-21)30-20(22)25-17/h2-4,11-12H,5-10H2,1H3,(H2,22,25)(H,23,24,26)
Affinity DataKi:  87nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM50570301(CHEMBL4868287)
Show SMILES CNc1nc(C)c(s1)-c1nc(Nc2cccc(c2)N2CCN(CC2)S(C)(=O)=O)ncc1C
Show InChI InChI=1S/C21H27N7O2S2/c1-14-13-23-20(26-18(14)19-15(2)24-21(22-3)31-19)25-16-6-5-7-17(12-16)27-8-10-28(11-9-27)32(4,29)30/h5-7,12-13H,8-11H2,1-4H3,(H,22,24)(H,23,25,26)
Affinity DataKi:  87nMAssay Description:Inhibition of recombinant human full length CDK2/Cyclin A using histone H1 as substrate incubated for 40 mins in presence of [gamma-33P]-ATP by scint...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Show SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1
Show InChI InChI=1S/C24H27N7O/c1-31-15-18(14-27-31)16-8-9-20(21(12-16)32-2)29-24-26-13-17-10-11-25-23(22(17)30-24)28-19-6-4-3-5-7-19/h8-15,19H,3-7H2,1-2H3,(H,25,28)(H,26,29,30)
Affinity DataKi:  100nMAssay Description:Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
GlaxoSmithKline

LigandPNGBDBM35647(erk000636 | pyrimidylpyrrole, 9f)
Show SMILES Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(c1)C(=O)N[C@H](CO)c1ccccc1
Show InChI InChI=1S/C24H23N5O3/c1-15-12-26-24(28-18-9-5-6-10-21(18)31)29-22(15)17-11-19(25-13-17)23(32)27-20(14-30)16-7-3-2-4-8-16/h2-13,20,25,30-31H,14H2,1H3,(H,27,32)(H,26,28,29)/t20-/m1/s1
Affinity DataKi: <100nMAssay Description:A coupled spectrophotometric assay was used in which ADP generated by kinase was converted to ATP with the concomitant production of pyruvate from PE...More data for this Ligand-Target Pair
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