Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2' and Ligand = 'BDBM225321'
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

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 DataKon:  0.00230M-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

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 DataKoff:  9.18E+4s-1Assay Description:OctetRed_Method3More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails PubMed