Compile Data Set for Download or QSAR
Found 6 Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM225320'
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:  207nMAssay Description:OctetRed_Method2More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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 DataKoff:  1.08E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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 DataKon:  0.0592M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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

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 DataKoff:  1.14E+5s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed
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 DataKon:  0.0160M-1s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed