Calculated Values
MW: 832.92 Hbond donors: 3 Hbond acceptors: 15 cLogP: 3.05 TPSA: 218.13 SMILES: show O=C(NCCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4, 24, 72, 96 Cells: Jurkat; Molt4; Granta-519; Mino; Jeko; Rec1; Maver IC50: = 25.7 nM Off-targets reported?: Yes, can also degrade IKZF1/3 Comments: IC50: 25.7nM/7.57nM for CDK4/CDK6, respectively. BSJ-02-162 is capable of degrading both CDK4 and CDK6. Contributed by: Yangwode Jing
Calculated Values
MW: 889.03 Hbond donors: 3 Hbond acceptors: 15 cLogP: 4.62 TPSA: 218.13 SMILES: show O=C(NCCCCCCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 937.02 Hbond donors: 3 Hbond acceptors: 18 cLogP: 2.32 TPSA: 245.82 SMILES: show O=C(NCCOCCOCCOCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: PEG Incubation time (hours): 4 Cells: Jurkat IC50: = 37.7 nM Off-targets reported?: No Comments: IC50: 106nM/37.7nM for CDK4/CDK6, respectively. Show selectivity on CDK6 (therefore inactive for CDK4 and active for CDK6). Contributed by: Yangwode Jing
Calculated Values
MW: 936.04 Hbond donors: 4 Hbond acceptors: 18 cLogP: 2.36 TPSA: 248.62 SMILES: show O=C(NCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat IC50: = 39 nM Off-targets reported?: Yes, can also degrade IKZF1/3 Comments: IC50: 137nM/39nM for CDK4/CDK6, respectively; Show selective degradation of CDK6 (therefore active for CDK6 and inactive for CDK4). Contributed by: Yangwode Jing
Calculated Values
MW: 1,024.15 Hbond donors: 4 Hbond acceptors: 20 cLogP: 2.39 TPSA: 267.08 SMILES: show O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 804.87 Hbond donors: 3 Hbond acceptors: 15 cLogP: 2.27 TPSA: 218.13 SMILES: show O=C(NCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 69.6 nM Off-targets reported?: No Comments: IC50: 69.6nM/34.6nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 891.99 Hbond donors: 4 Hbond acceptors: 17 cLogP: 2.34 TPSA: 239.39 SMILES: show O=C(NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 847.93 Hbond donors: 4 Hbond acceptors: 16 cLogP: 2.32 TPSA: 230.16 SMILES: show O=C(NCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 859.99 Hbond donors: 4 Hbond acceptors: 15 cLogP: 3.87 TPSA: 220.93 SMILES: show O=C(NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 77 nM Off-targets reported?: No Comments: IC50: 77nM/27.6nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 703.76 Hbond donors: 2 Hbond acceptors: 13 cLogP: 3.28 TPSA: 179.80 SMILES: show O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4)=O Linker type: Other Incubation time (hours): 4 Cells: Jurkat IC50: = 130 nM Off-targets reported?: No Comments: IC50: 130nM/45.1nM for CDK4/CDK6 respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 818.89 Hbond donors: 3 Hbond acceptors: 15 cLogP: 2.66 TPSA: 218.13 SMILES: show O=C(NCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing |
Calculated Values
MW: 805.89 Hbond donors: 3 Hbond acceptors: 13 cLogP: 5.21 TPSA: 170.58 SMILES: show O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3NCCCCN4CCN(CC5=CC=C(NC6=NC=C(F)C(C7=CC(F)=C8C(N(C(C)C)C(C)=N8)=C7)=N6)N=C5)CC4)=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 8.26 nM Off-targets reported?: Yes, can also degrade CDK9 Comments: IC50: 8.26nM/13.1nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 862.94 Hbond donors: 4 Hbond acceptors: 14 cLogP: 4.33 TPSA: 199.68 SMILES: show O=C(NCCCCN1CCN(CC2=CC=C(NC3=NC=C(F)C(C4=CC(F)=C5C(N(C(C)C)C(C)=N5)=C4)=N3)N=C2)CC1)CNC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 8.61 nM Off-targets reported?: Yes, can also degrade CDK9 Comments: IC50: 8.61nM/12.5nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing |
Calculated Values
MW: 761.89 Hbond donors: 3 Hbond acceptors: 13 cLogP: 3.80 TPSA: 178.00 SMILES: show O=C(C1=CC2=CN=C(N([H])C3=NC=C(N4CCN(CCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 79.7 nM Off-targets reported?: No Comments: IC50: 79.7nM/65.5nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 821.94 Hbond donors: 3 Hbond acceptors: 15 cLogP: 3.06 TPSA: 196.46 SMILES: show O=C(C1=CC2=CN=C(NC3=NC=C(N4CCN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: PEG Incubation time (hours): 4 Cells: Jurkat IC50: = 175 nM Off-targets reported?: No Comments: IC50: 175nM/142nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing |
Calculated Values
MW: 832.92 Hbond donors: 3 Hbond acceptors: 15 cLogP: 3.05 TPSA: 218.13 SMILES: show O=C(NCCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4, 24, 72, 96 Cells: Jurkat; Molt4; Granta-519; Mino; Jeko; Rec1; Maver IC50: = 26.9 nM Off-targets reported?: No Comments: IC50: 26.9nM/10.4nM for CDK4/CDK6, respectively. Can degrade both CDK4 and CDK6. Contributed by: Yangwode Jing |
Calculated Values
MW: 818.94 Hbond donors: 4 Hbond acceptors: 14 cLogP: 2.92 TPSA: 207.10 SMILES: show O=C(C1=CC2=CN=C(NC3=NC=C(N4CCN(CCCCNC(CNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: Other Incubation time (hours): 4 Cells: Jurkat IC50: = 70.8 nM Off-targets reported?: Yes, can also degrade IKZF1/3 Comments: IC50: 70.8nM/52.2nM for CDK4/CDK6, respectively; Show selective degradation of CDK4 (therefore active for CDK4 and inactive for CDK6). Contributed by: Yangwode Jing
Calculated Values
MW: 821.94 Hbond donors: 3 Hbond acceptors: 15 cLogP: 3.06 TPSA: 196.46 SMILES: show O=C(C1=CC2=CN=C(NC3=NC=C(N4CCN(CCOCCOCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: PEG Incubation time (hours): 4 Cells: Jurkat IC50: = 175 nM Off-targets reported?: No Comments: IC50: 175nM/142nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 819.92 Hbond donors: 3 Hbond acceptors: 14 cLogP: 2.89 TPSA: 204.30 SMILES: show O=C(C1=CC2=CN=C(NC3=NC=C(N4CCN(CCCCNC(COC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: Other Incubation time (hours): 4 Cells: Jurkat IC50: = 50.6 nM Off-targets reported?: No Comments: IC50: 50.6nM/30nM for CDK4/CDK6, respectively; Show selective degradation of CDK4 (therefore active for CDK4 and inactive for CDK6). Contributed by: Yangwode Jing
Calculated Values
MW: 761.89 Hbond donors: 3 Hbond acceptors: 13 cLogP: 3.80 TPSA: 178.00 SMILES: show O=C(C1=CC2=CN=C(N([H])C3=NC=C(N4CCN(CCCCNC5=CC=CC(C(N6C(CC7)C(NC7=O)=O)=O)=C5C6=O)CC4)C=C3)N=C2N1C8CCCC8)N(C)C Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 79.7 nM Off-targets reported?: No Comments: IC50: 79.7nM/65.5nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing |
Calculated Values
MW: 832.92 Hbond donors: 3 Hbond acceptors: 15 cLogP: 3.05 TPSA: 218.13 SMILES: show O=C(NCCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4, 24, 72, 96 Cells: Jurkat; Molt4; Granta-519; Mino; Jeko; Rec1; Maver IC50: = 25.7 nM Off-targets reported?: Yes, can also degrade IKZF1/3 Comments: IC50: 25.7nM/7.57nM for CDK4/CDK6, respectively. BSJ-02-162 is capable of degrading both CDK4 and CDK6. Contributed by: Yangwode Jing
Calculated Values
MW: 889.03 Hbond donors: 3 Hbond acceptors: 15 cLogP: 4.62 TPSA: 218.13 SMILES: show O=C(NCCCCCCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 804.87 Hbond donors: 3 Hbond acceptors: 15 cLogP: 2.27 TPSA: 218.13 SMILES: show O=C(NCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 69.6 nM Off-targets reported?: No Comments: IC50: 69.6nM/34.6nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 1,024.15 Hbond donors: 4 Hbond acceptors: 20 cLogP: 2.39 TPSA: 267.08 SMILES: show O=C(NCCOCCOCCOCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 847.93 Hbond donors: 4 Hbond acceptors: 16 cLogP: 2.32 TPSA: 230.16 SMILES: show O=C(NCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 891.99 Hbond donors: 4 Hbond acceptors: 17 cLogP: 2.34 TPSA: 239.39 SMILES: show O=C(NCCOCCOCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: PEG Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 859.99 Hbond donors: 4 Hbond acceptors: 15 cLogP: 3.87 TPSA: 220.93 SMILES: show O=C(NCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)CN4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4 Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat IC50: = 77 nM Off-targets reported?: No Comments: IC50: 77nM/27.6nM for CDK4/CDK6, respectively. Contributed by: Yangwode Jing
Calculated Values
MW: 818.89 Hbond donors: 3 Hbond acceptors: 15 cLogP: 2.66 TPSA: 218.13 SMILES: show O=C(NCCCN1CCN(C2=CC=C(NC3=NC=C(C(C)=C(C(C)=O)C(N4C5CCCC5)=O)C4=N3)N=C2)CC1)COC6=CC=CC(C(N7C(CC8)C(NC8=O)=O)=O)=C6C7=O Linker type: Alkane Incubation time (hours): 4 Cells: Jurkat Off-targets reported?: No Contributed by: Yangwode Jing
Calculated Values
MW: 703.76 Hbond donors: 2 Hbond acceptors: 13 cLogP: 3.28 TPSA: 179.80 SMILES: show O=C1N(C(CC2)C(NC2=O)=O)C(C3=C1C=CC=C3N4CCN(C5=CC=C(NC6=NC=C(C(C)=C(C(C)=O)C(N7C8CCCC8)=O)C7=N6)N=C5)CC4)=O Linker type: Other Incubation time (hours): 4 Cells: Jurkat IC50: = 130 nM Off-targets reported?: No Comments: IC50: 130nM/45.1nM for CDK4/CDK6 respectively. Contributed by: Yangwode Jing |