Compile Data Set for Download or QSAR
Found 160 Enz. Inhib. hit(s) with all data for entry = 7953
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225310(CS1)
Show SMILES Cc1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
Show InChI InChI=1S/C11H10BrN3O/c1-7-6-10(15-14-7)13-11(16)8-2-4-9(12)5-3-8/h2-6H,1H3,(H2,13,14,15,16)
Affinity DataKd:  3.32E+4nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM7126(3-Propylaminopyrazole deriv. 3 | CHEMBL112442 | CS...)
Show SMILES CCCC(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C10H15N3O/c1-2-3-10(14)11-9-6-8(12-13-9)7-4-5-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
Affinity DataKd:  1.84E+3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225311(CS3)
Show SMILES NC(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C14H14N4O2/c15-13(19)9-3-5-10(6-4-9)14(20)16-12-7-11(17-18-12)8-1-2-8/h3-8H,1-2H2,(H2,15,19)(H2,16,17,18,20)
Affinity DataKd:  808nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225312(CS4)
Show SMILES [O-]C(=O)c1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C14H13N3O3/c18-13(9-3-5-10(6-4-9)14(19)20)15-12-7-11(16-17-12)8-1-2-8/h3-8H,1-2H2,(H,19,20)(H2,15,16,17,18)/p-1
Affinity DataKd:  2.12E+4nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225313(CS5)
Show SMILES Brc1ccc(cc1)C(=O)Nc1cc([nH]n1)C1CCCCC1
Show InChI InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225314(CS9)
Show SMILES FC(F)(F)Oc1ccc(CC(=O)Nc2cc([nH]n2)C2CC2)cc1
Show InChI InChI=1S/C15H14F3N3O2/c16-15(17,18)23-11-5-1-9(2-6-11)7-14(22)19-13-8-12(20-21-13)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H2,19,20,21,22)
Affinity DataKd:  5.83E+4nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225315(CS10)
Show SMILES O=C(Cc1ccc(cc1)-c1cccs1)Nc1cc([nH]n1)C1CC1
Show InChI InChI=1S/C18H17N3OS/c22-18(19-17-11-15(20-21-17)13-7-8-13)10-12-3-5-14(6-4-12)16-2-1-9-23-16/h1-6,9,11,13H,7-8,10H2,(H2,19,20,21,22)
Affinity DataKd:  910nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91736(CS11)
Show SMILES O=C(Cc1ccc(OCC[NH+]2CCCC2)cc1)Nc1cc(n[nH]1)C1CC1
Show InChI InChI=1S/C20H26N4O2/c25-20(21-19-14-18(22-23-19)16-5-6-16)13-15-3-7-17(8-4-15)26-12-11-24-9-1-2-10-24/h3-4,7-8,14,16H,1-2,5-6,9-13H2,(H2,21,22,23,25)/p+1
Affinity DataKd:  280nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM8043((4-chlorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(Cl)cc2)n1
Show InChI InChI=1S/C15H13ClN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)
Affinity DataKd:  965nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM8046((4-Fluorophenyl)-[4-(2,4-dimethylthiazol-5-yl)pyri...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C15H13FN4S/c1-9-14(21-10(2)18-9)13-7-8-17-15(20-13)19-12-5-3-11(16)4-6-12/h3-8H,1-2H3,(H,17,19,20)
Affinity DataKd:  1.43E+3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM8065(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 36 | 3...)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)C#N)n1
Show InChI InChI=1S/C16H13N5S/c1-10-15(22-11(2)19-10)14-6-7-18-16(21-14)20-13-5-3-4-12(8-13)9-17/h3-8H,1-2H3,(H,18,20,21)
Affinity DataKd:  557nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91749(CS16)
Show SMILES Cc1nc(C)c(s1)-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C15H13N5O2S/c1-9-14(23-10(2)17-9)13-6-7-16-15(19-13)18-11-4-3-5-12(8-11)20(21)22/h3-8H,1-2H3,(H,16,18,19)
Affinity DataKd:  77.3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91754(CS17)
Show SMILES Cc1nc(NCC=C)sc1-c1ccnc(Nc2cccc(c2)[N+]([O-])=O)n1
Show InChI InChI=1S/C17H16N6O2S/c1-3-8-19-17-20-11(2)15(26-17)14-7-9-18-16(22-14)21-12-5-4-6-13(10-12)23(24)25/h3-7,9-10H,1,8H2,2H3,(H,19,20)(H,18,21,22)
Affinity DataKd:  53.9nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM8069(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 40 | 4...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(N)nc2C)cc1
Show InChI InChI=1S/C16H18N6S/c1-10-14(23-15(17)19-10)13-8-9-18-16(21-13)20-11-4-6-12(7-5-11)22(2)3/h4-9H,1-3H3,(H2,17,19)(H,18,20,21)
Affinity DataKd:  961nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91761(CS19)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1[N+]([O-])=O
Show InChI InChI=1S/C17H18N6O2S/c1-10-16(26-11(2)19-10)13-7-8-18-17(21-13)20-12-5-6-14(22(3)4)15(9-12)23(24)25/h5-9H,1-4H3,(H,18,20,21)
Affinity DataKd:  229nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM8068(2-Anilino-4-(thiazol-5-yl)pyrimidine deriv. 39 | 2...)
Show SMILES CN(C)c1ccc(Nc2nccc(n2)-c2sc(C)nc2C)cc1Cl
Show InChI InChI=1S/C17H18ClN5S/c1-10-16(24-11(2)20-10)14-7-8-19-17(22-14)21-12-5-6-15(23(3)4)13(18)9-12/h5-9H,1-4H3,(H,19,21,22)
Affinity DataKd:  777nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225316(CS241)
Show SMILES NC(=N)NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C16H15N5O3S/c17-16(18)21-25(23,24)11-7-5-10(6-8-11)19-9-13-12-3-1-2-4-14(12)20-15(13)22/h1-9,19H,(H,20,22)(H4,17,18,21)/b13-9-
Affinity DataKd:  287nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225317(CS242)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc4[nH]nnc4c23)cc1
Show InChI InChI=1S/C14H11N7O3S/c15-25(23,24)8-3-1-7(2-4-8)17-19-13-11-9(16-14(13)22)5-6-10-12(11)20-21-18-10/h1-6,17H,(H2,15,23,24)(H,16,19,22)(H,18,20,21)
Affinity DataKd:  528nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225318(CS244)
Show SMILES COc1cccc(OC)c1NS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C24H20N4O5S2/c1-32-19-4-3-5-20(33-2)22(19)28-35(30,31)15-8-6-14(7-9-15)25-12-16-21-17(27-24(16)29)10-11-18-23(21)34-13-26-18/h3-13,25,28H,1-2H3,(H,27,29)/b16-12-
Affinity DataKd:  179nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225319(CS245)
Show SMILES O=C1Nc2ccc3ncsc3c2\C1=C\Nc1ccc2CS(=O)(=O)Cc2c1
Show InChI InChI=1S/C18H13N3O3S2/c22-18-13(16-14(21-18)3-4-15-17(16)25-9-20-15)6-19-12-2-1-10-7-26(23,24)8-11(10)5-12/h1-6,9,19H,7-8H2,(H,21,22)/b13-6-
Affinity DataKd:  229nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225320(CS246)
Show SMILES CC(=O)N=S([O-])(=O)c1ccc(N\C=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Show InChI InChI=1S/C18H14N4O4S2/c1-10(23)22-28(25,26)12-4-2-11(3-5-12)19-8-13-16-14(21-18(13)24)6-7-15-17(16)27-9-20-15/h2-9,19H,1H3,(H,21,24)(H,22,23,25,26)/p-1/b13-8-
Affinity DataKd:  526nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225321(CS247)
Show SMILES COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,28H,13H2,1-2H3,(H,26,30)(H2,25,32,33)(H,27,29,31)
Affinity DataKd:  22.6nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225322(CS248)
Show SMILES C[NH+](C)CCNS(=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
Show InChI InChI=1S/C19H22N4O3S/c1-23(2)12-11-21-27(25,26)15-9-7-14(8-10-15)20-13-17-16-5-3-4-6-18(16)22-19(17)24/h3-10,13,20-21H,11-12H2,1-2H3,(H,22,24)/p+1/b17-13-
Affinity DataKd:  1.06E+3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225323(CS260)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1
Show InChI InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20)
Affinity DataKd:  98.6nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225324(CS261)
Show SMILES NS(=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(=O)NCCc2c[nH]cn2)cc1
Show InChI InChI=1S/C20H19N7O4S/c21-32(30,31)15-4-2-13(3-5-15)26-27-18-16-9-12(1-6-17(16)25-20(18)29)19(28)23-8-7-14-10-22-11-24-14/h1-6,9-11,26H,7-8H2,(H,22,24)(H,23,28)(H2,21,30,31)(H,25,27,29)
Affinity DataKd:  251nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225325(CS262)
Show SMILES CC(C)COC(=O)c1ccc2NC(=O)\C(=N/Nc3ccc(cc3)S(N)(=O)=O)c2c1
Show InChI InChI=1S/C19H20N4O5S/c1-11(2)10-28-19(25)12-3-8-16-15(9-12)17(18(24)21-16)23-22-13-4-6-14(7-5-13)29(20,26)27/h3-9,11,22H,10H2,1-2H3,(H2,20,26,27)(H,21,23,24)
Affinity DataKd:  47.3nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91784(CS27)
Show SMILES COc1cccc(NC(=O)CSc2nnnn2C)c1
Show InChI InChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-4-3-5-9(6-8)18-2/h3-6H,7H2,1-2H3,(H,12,17)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91786(CS32)
Show SMILES COc1ccc(CC(NC(C)=O)c2ccc3cccnc3c2O)cc1OC
Show InChI InChI=1S/C21H22N2O4/c1-13(24)23-17(11-14-6-9-18(26-2)19(12-14)27-3)16-8-7-15-5-4-10-22-20(15)21(16)25/h4-10,12,17,25H,11H2,1-3H3,(H,23,24)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91787(CS33)
Show SMILES Brc1ccc(cc1)S(=O)(=O)NCCSc1ccccn1
Show InChI InChI=1S/C13H13BrN2O2S2/c14-11-4-6-12(7-5-11)20(17,18)16-9-10-19-13-3-1-2-8-15-13/h1-8,16H,9-10H2
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91789(CS36)
Show SMILES COc1ccc(OCC(=O)Nc2cc(ccc2C)-c2nn3c(C)nnc3s2)cc1
Show InChI InChI=1S/C20H19N5O3S/c1-12-4-5-14(19-24-25-13(2)22-23-20(25)29-19)10-17(12)21-18(26)11-28-16-8-6-15(27-3)7-9-16/h4-10H,11H2,1-3H3,(H,21,26)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91790(CS37)
Show SMILES COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(C)cc4)n23)cc1
Show InChI InChI=1S/C21H20N4O2S2/c1-14-3-5-15(6-4-14)18-13-29-21-24-23-20(25(18)21)28-12-11-19(26)22-16-7-9-17(27-2)10-8-16/h3-10,13H,11-12H2,1-2H3,(H,22,26)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91791(CS38)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(n1C)C12C[C@H]3C[C@H](C[C@H](C3)C1)C2
Show InChI InChI=1S/C23H28N4O3S/c1-27-21(23-10-14-7-15(11-23)9-16(8-14)12-23)25-26-22(27)31-13-19(28)24-18-6-4-3-5-17(18)20(29)30-2/h3-6,14-16H,7-13H2,1-2H3,(H,24,28)/t14-,15+,16-,23?
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91793(CS41)
Show SMILES COc1ccc(NC(=O)CSc2nnc([nH]2)-c2ccncc2)cc1
Show InChI InChI=1S/C16H15N5O2S/c1-23-13-4-2-12(3-5-13)18-14(22)10-24-16-19-15(20-21-16)11-6-8-17-9-7-11/h2-9H,10H2,1H3,(H,18,22)(H,19,20,21)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91795(CS47)
Show SMILES COc1cc(OC)c(NC(=O)CSc2nnc(-c3ccccc3)n2C)cc1Cl
Show InChI InChI=1S/C19H19ClN4O3S/c1-24-18(12-7-5-4-6-8-12)22-23-19(24)28-11-17(25)21-14-9-13(20)15(26-2)10-16(14)27-3/h4-10H,11H2,1-3H3,(H,21,25)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91796(CS49)
Show SMILES CCOc1ccc2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)sc2c1
Show InChI InChI=1S/C22H22N4O3S2/c1-4-29-16-10-11-17-18(12-16)31-22(23-17)30-13-19(27)24-20-14(2)25(3)26(21(20)28)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3,(H,24,27)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91797(CS53)
Show SMILES COc1ccc(NC(=O)CSc2nnnn2C)cc1
Show InChI InChI=1S/C11H13N5O2S/c1-16-11(13-14-15-16)19-7-10(17)12-8-3-5-9(18-2)6-4-8/h3-6H,7H2,1-2H3,(H,12,17)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM225326(CS55)
Show SMILES CCOc1ccc(cc1Cc1c(O)nc(N)nc1O)C(C)=O
Show InChI InChI=1S/C15H17N3O4/c1-3-22-12-5-4-9(8(2)19)6-10(12)7-11-13(20)17-15(16)18-14(11)21/h4-6H,3,7H2,1-2H3,(H4,16,17,18,20,21)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91799(CS58)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1nnc(SCC(=O)N2CCOCC2)n1-c1ccccc1
Show InChI InChI=1S/C20H19N5O4S/c26-18(23-10-12-29-13-11-23)14-30-20-22-21-19(24(20)16-4-2-1-3-5-16)15-6-8-17(9-7-15)25(27)28/h1-9H,10-14H2
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91800(CS59)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(NC(C)=O)cc3)n2C)cc1
Show InChI InChI=1S/C21H21N5O4S/c1-13(27)22-16-8-4-14(5-9-16)19-24-25-21(26(19)2)31-12-18(28)23-17-10-6-15(7-11-17)20(29)30-3/h4-11H,12H2,1-3H3,(H,22,27)(H,23,28)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91801(CS64)
Show SMILES Cn1c(COc2cccc3cccnc23)nnc1SCC(N)=O
Show InChI InChI=1S/C15H15N5O2S/c1-20-13(18-19-15(20)23-9-12(16)21)8-22-11-6-2-4-10-5-3-7-17-14(10)11/h2-7H,8-9H2,1H3,(H2,16,21)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91803(CS66)
Show SMILES CCn1c(SCC(=O)Nc2cccc(c2)C(C)=O)nnc1-c1ccncc1
Show InChI InChI=1S/C19H19N5O2S/c1-3-24-18(14-7-9-20-10-8-14)22-23-19(24)27-12-17(26)21-16-6-4-5-15(11-16)13(2)25/h4-11H,3,12H2,1-2H3,(H,21,26)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91804(CS67)
Show SMILES COc1ccc(cc1)C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1-c1ccccc1
Show InChI InChI=1S/C25H23N3O4S/c1-30-20-12-9-17(10-13-20)21(29)16-33-25-27-26-24(28(25)19-7-5-4-6-8-19)18-11-14-22(31-2)23(15-18)32-3/h4-15H,16H2,1-3H3
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91805(CS68)
Show SMILES Cc1c(NC(=O)C2CCCN2S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
Show InChI InChI=1S/C22H24N4O4S/c1-16-20(22(28)26(24(16)2)17-10-5-3-6-11-17)23-21(27)19-14-9-15-25(19)31(29,30)18-12-7-4-8-13-18/h3-8,10-13,19H,9,14-15H2,1-2H3,(H,23,27)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91806(CS69)
Show SMILES NC(=O)c1ccc(NCCCN2CCOCC2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H20N4O4/c15-14(19)11-2-3-12(13(10-11)18(20)21)16-4-1-5-17-6-8-22-9-7-17/h2-3,10,16H,1,4-9H2,(H2,15,19)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91808(CS71)
Show SMILES CC(=O)Nc1cccc(c1)-c1nnc(SCC(=O)Nc2ccc(cc2)C(C)=O)n1C
Show InChI InChI=1S/C21H21N5O3S/c1-13(27)15-7-9-17(10-8-15)23-19(29)12-30-21-25-24-20(26(21)3)16-5-4-6-18(11-16)22-14(2)28/h4-11H,12H2,1-3H3,(H,22,28)(H,23,29)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91809(CS72)
Show SMILES COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C
Show InChI InChI=1S/C20H20N4O4S/c1-24-18(13-8-10-14(27-2)11-9-13)22-23-20(24)29-12-17(25)21-16-7-5-4-6-15(16)19(26)28-3/h4-11H,12H2,1-3H3,(H,21,25)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91810(CS73)
Show SMILES COc1ccc(cc1)-n1c(SCC(N)=O)nnc1-c1cccs1
Show InChI InChI=1S/C15H14N4O2S2/c1-21-11-6-4-10(5-7-11)19-14(12-3-2-8-22-12)17-18-15(19)23-9-13(16)20/h2-8H,9H2,1H3,(H2,16,20)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91811(CS74)
Show SMILES CS(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1
Show InChI InChI=1S/C23H19FN4O3S2/c1-33(30,31)18-13-11-16(12-14-18)25-21(29)15-32-23-27-26-22(19-9-5-6-10-20(19)24)28(23)17-7-3-2-4-8-17/h2-14H,15H2,1H3,(H,25,29)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91812(CS76)
Show SMILES CN1CCN(CC1)C(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O
Show InChI InChI=1S/C20H25N3O3S/c1-21-12-14-22(15-13-21)20(24)18-10-6-7-11-19(18)23(27(2,25)26)16-17-8-4-3-5-9-17/h3-11H,12-16H2,1-2H3
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
TargetCyclin-dependent kinase 2(Homo sapiens (Human))
D3R

LigandPNGBDBM91813(CS77)
Show SMILES COC(=O)c1ccc(NC(=O)CSc2nnnn2-c2ccccc2OC)cc1
Show InChI InChI=1S/C18H17N5O4S/c1-26-15-6-4-3-5-14(15)23-18(20-21-22-23)28-11-16(24)19-13-9-7-12(8-10-13)17(25)27-2/h3-10H,11H2,1-2H3,(H,19,24)
Affinity DataKd: >1.00E+5nMAssay Description:OctetRed_Method1More data for this Ligand-Target Pair
In DepthDetails PubMed
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