PROTACpedia
Potent and Preferential Degradation of CDK6 via Proteolysis Targeting Chimera Degraders. J Med Chem. 2019 Aug 22;62(16):7575-7582. PMID:31330105 DOI:10.1021/acs.jmedchem.9b00871
Target: CDK6 Cyclin-dependent kinase 6 Q00534 Homo sapiens
E3 ligase: Cereblon
E3 binder: Pomalidomide
SMILES: show
Ligand Name: Palbociclib
Ligand PDB Id: LQQ
PDB with Ligand: 5L2I
SMILES: show
Calculated Values
MW: 871.96
Hbond donors: 3
Hbond acceptors: 18
cLogP: 3.00
TPSA: 231.77

SMILES: show
Linker type: Other
Cells: U251
DC50: = 2.1 nM
Dmax: = 89 %
Tested a non-binding E3 control?: Yes
Tested competition with ligand?: Yes
Tested proteaseome inhibitor?: Yes
Proteomics data available?: Yes
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM. EC50 of PROTAC is 10nM in MM.lS 8nM in Mino.
Contributed by: Efrat Resnick
Calculated Values
MW: 980.09
Hbond donors: 4
Hbond acceptors: 19
cLogP: 2.37
TPSA: 257.85

SMILES: show
Linker type: Other
DC50: = 31 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 960.07
Hbond donors: 3
Hbond acceptors: 20
cLogP: 3.03
TPSA: 250.23

SMILES: show
Linker type: Other
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Contributed by: Efrat Resnick
Calculated Values
MW: 864.97
Hbond donors: 2
Hbond acceptors: 16
cLogP: 4.09
TPSA: 210.51

SMILES: show
Linker type: Other
DC50: = 81.6 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 878.99
Hbond donors: 2
Hbond acceptors: 16
cLogP: 4.48
TPSA: 210.51

SMILES: show
Linker type: Other
DC50: = 86.8 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 891.99
Hbond donors: 4
Hbond acceptors: 17
cLogP: 2.34
TPSA: 239.39

SMILES: show
Linker type: Other
DC50: = 24.2 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 1,004.12
Hbond donors: 3
Hbond acceptors: 21
cLogP: 3.05
TPSA: 259.46

SMILES: show
Linker type: Other
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Contributed by: Efrat Resnick
Calculated Values
MW: 869.99
Hbond donors: 3
Hbond acceptors: 17
cLogP: 4.15
TPSA: 222.54

SMILES: show
Linker type: Other
DC50: = 5.3 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 847.93
Hbond donors: 4
Hbond acceptors: 16
cLogP: 2.32
TPSA: 230.16

SMILES: show
Linker type: Other
DC50: = 1.1 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 834.93
Hbond donors: 3
Hbond acceptors: 16
cLogP: 3.22
TPSA: 210.29

SMILES: show
Linker type: Other
DC50: = 1.6 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 916.01
Hbond donors: 3
Hbond acceptors: 19
cLogP: 3.02
TPSA: 241.00

SMILES: show
Linker type: Other
Tested a non-binding E3 control?: Yes
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Contributed by: Efrat Resnick
Calculated Values
MW: 884.01
Hbond donors: 3
Hbond acceptors: 17
cLogP: 4.54
TPSA: 222.54

SMILES: show
Linker type: Other
DC50: = 10.6 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 100 nM
Contributed by: Efrat Resnick
E3 ligase: Cereblon
E3 binder: Lenalidomide
SMILES: show
Ligand Name: Palbociclib
Ligand PDB Id: LQQ
PDB with Ligand: 5L2I
SMILES: show
Calculated Values
MW: 855.02
Hbond donors: 2
Hbond acceptors: 15
cLogP: 5.03
TPSA: 193.44

SMILES: show
Linker type: Other
DC50: = 1.7 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 50 nM
Contributed by: Efrat Resnick
E3 ligase: Cereblon
E3 binder: Pomalidomide
SMILES: show
Ligand Name: Abemaciclib
Ligand PDB Id: 6ZZ
PDB with Ligand: 5L2S
SMILES: show
Calculated Values
MW: 1,021.10
Hbond donors: 3
Hbond acceptors: 20
cLogP: 4.29
TPSA: 238.21

SMILES: show
Linker type: Other
DC50: = 145.5 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 500 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 977.05
Hbond donors: 3
Hbond acceptors: 19
cLogP: 4.28
TPSA: 228.98

SMILES: show
Linker type: Other
DC50: = 271.9 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 500 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 932.99
Hbond donors: 3
Hbond acceptors: 18
cLogP: 4.26
TPSA: 219.75

SMILES: show
Linker type: Other
DC50: = 129.7 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 500 nM
Contributed by: Efrat Resnick
Calculated Values
MW: 888.94
Hbond donors: 3
Hbond acceptors: 17
cLogP: 4.24
TPSA: 210.52

SMILES: show
Linker type: Other
DC50: = 8.6 nM
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Comments: DC50 for CDK4 > 500 nM
Contributed by: Efrat Resnick