Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Cyclin-dependent kinase 2 [C118L,A144C]'
TargetCyclin-dependent kinase 2 [C118L,A144C](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM154576(K03861 (1))
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
Affinity DataIC50: 800nMpH: 7.5Assay Description:For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2 [C118L,A144C](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM154577(K03859 (2))
Show SMILES CN1CCN(Cc2ccc(NC(=O)c3cccc4cc(Oc5cc(NC(C)=O)ncn5)ccc34)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H29F3N6O3/c1-19(40)36-27-16-28(35-18-34-27)42-23-8-9-24-20(14-23)4-3-5-25(24)29(41)37-22-7-6-21(26(15-22)30(31,32)33)17-39-12-10-38(2)11-13-39/h3-9,14-16,18H,10-13,17H2,1-2H3,(H,37,41)(H,34,35,36,40)
Affinity DataIC50: 1.00E+4nMT: 2°CAssay Description:For IC50 measurements, a 384-well microtiter plate contained 8-point serial dilutions of inhibitors and 16-point serial dilutions of staurosporine as...More data for this Ligand-Target Pair
TargetCyclin-dependent kinase 2 [C118L,A144C](Homo sapiens (Human))
University of Oxford

LigandPNGBDBM154576(K03861 (1))
Show SMILES CN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4ccnc(N)n4)cc3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C24H26F3N7O2/c1-33-10-12-34(13-11-33)15-16-2-3-18(14-20(16)24(25,26)27)31-23(35)30-17-4-6-19(7-5-17)36-21-8-9-29-22(28)32-21/h2-9,14H,10-13,15H2,1H3,(H2,28,29,32)(H2,30,31,35)
Affinity DataKd:  9.70nMpH: 7.5 T: 2°CAssay Description:All ITC experiments were performed using a VP-ITC (Microcal, Northampton, MA) instrument at 10 or 15 C in 50 mM HEPES, pH 7.5, 300 mM NaCl, and 1 mM...More data for this Ligand-Target Pair