PROTACpedia
Discovery of Highly Potent and Efficient PROTAC Degraders of Androgen Receptor (AR) by Employing Weak Binding Affinity VHL E3 Ligase Ligands. J Med Chem. 2019 Dec 26;62(24):11218-11231. PMID:31804827 DOI:10.1021/acs.jmedchem.9b01393
Target: AR Androgen receptor P10275 Homo sapiens
E3 ligase: VHL
E3 binder: VH-E
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 1,033.11
Hbond donors: 3
Hbond acceptors: 10
cLogP: 8.48
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 949.98
Hbond donors: 3
Hbond acceptors: 9
cLogP: 8.01
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-D
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 1,077.56
Hbond donors: 3
Hbond acceptors: 10
cLogP: 8.59
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 95 %
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: Adi Rogel
Calculated Values
MW: 994.43
Hbond donors: 3
Hbond acceptors: 9
cLogP: 8.12
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-F
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 1,016.66
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.96
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 933.52
Hbond donors: 3
Hbond acceptors: 9
cLogP: 7.50
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-B
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 939.55
Hbond donors: 3
Hbond acceptors: 9
cLogP: 7.34
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 1,022.69
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.81
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-C
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 940.54
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.23
TPSA: 201.89

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 1,023.68
Hbond donors: 3
Hbond acceptors: 11
cLogP: 7.70
TPSA: 205.13

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-A
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 1,095.81
Hbond donors: 3
Hbond acceptors: 12
cLogP: 9.26
TPSA: 194.23

SMILES: show
Linker type: Other
Incubation time (hours): 0.5,1,3,6,12,24
Cells: LNCaP
DC50: = 7.2 nM
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 1,012.67
Hbond donors: 3
Hbond acceptors: 11
cLogP: 8.79
TPSA: 190.99

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
E3 ligase: VHL
E3 binder: VH-G
SMILES: show
Ligand Name: Apalutamide analog
SMILES: show
Calculated Values
MW: 915.53
Hbond donors: 3
Hbond acceptors: 9
cLogP: 7.36
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 0.5,1,3,6,12,24
Cells: LNCaP
DC50: = 0.5352 nM
Dmax: > 99 %
Tested a non-binding E3 control?: No
Tested competition with ligand?: Yes
Tested proteaseome inhibitor?: Yes
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No
Contributed by: Adi Rogel
Calculated Values
MW: 891.51
Hbond donors: 3
Hbond acceptors: 9
cLogP: 7.48
TPSA: 178.10

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 970.61
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.04
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: = 86 %
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: Adi Rogel
Calculated Values
MW: 946.59
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.44
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 946.59
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.16
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 998.67
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.82
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 892.50
Hbond donors: 3
Hbond acceptors: 10
cLogP: 6.42
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: > 99 %
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: Adi Rogel
Calculated Values
MW: 970.61
Hbond donors: 3
Hbond acceptors: 10
cLogP: 7.04
TPSA: 181.34

SMILES: show
Linker type: Other
Incubation time (hours): 6
Cells: LNCaP
Dmax: = 68 %
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: Adi Rogel