PROTACpedia
Discovery of PROTAC BCL-XL degraders as potent anticancer agents with low on-target platelet toxicity. Eur J Med Chem. 2020 Apr 15;192:112186. PMID:32145645 DOI:10.1016/j.ejmech.2020.112186
Target: BCL2L1 Bcl-2-like protein 1 Q07817 Homo sapiens
E3 ligase: Cereblon
E3 binder: Pomalidomide
SMILES: show
Nc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

 Ligand Name: ABT-263
Ligand PDB Id: 1XJ
PDB with Ligand: 4QNQ
SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Calculated Values
MW: 1,350.02
Hbond donors: 4
Hbond acceptors: 18
cLogP: 9.00
TPSA: 242.40

SMILES: show
CN(CCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 2.5 nM
Tested a non-binding E3 control?: Yes
Tested competition with ligand?: Yes
Tested proteaseome inhibitor?: Yes
Proteomics data available?: No
Tested engagement in cells?: No
Off-targets reported?: No degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,273.96
Hbond donors: 4
Hbond acceptors: 15
cLogP: 10.51
TPSA: 214.71

SMILES: show
CN(CCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,405.09
Hbond donors: 4
Hbond acceptors: 19
cLogP: 8.68
TPSA: 245.64

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 4.5 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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,463.13
Hbond donors: 4
Hbond acceptors: 20
cLogP: 8.22
TPSA: 271.94

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)COCCOCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,231.88
Hbond donors: 4
Hbond acceptors: 15
cLogP: 9.34
TPSA: 214.71

SMILES: show
CN(CCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,245.91
Hbond donors: 4
Hbond acceptors: 15
cLogP: 9.73
TPSA: 214.71

SMILES: show
CN(CCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,343.03
Hbond donors: 4
Hbond acceptors: 16
cLogP: 9.72
TPSA: 235.02

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)CCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,300.99
Hbond donors: 4
Hbond acceptors: 16
cLogP: 9.41
TPSA: 217.95

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,501.23
Hbond donors: 4
Hbond acceptors: 21
cLogP: 10.74
TPSA: 273.11

SMILES: show
CN(CCCCCCCn1cc(COCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,419.08
Hbond donors: 4
Hbond acceptors: 19
cLogP: 8.21
TPSA: 262.71

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)COCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,329.00
Hbond donors: 4
Hbond acceptors: 16
cLogP: 9.33
TPSA: 235.02

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)CCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,473.13
Hbond donors: 4
Hbond acceptors: 21
cLogP: 9.09
TPSA: 290.18

SMILES: show
CN(CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F)C(=O)CCCn1cc(COCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,471.16
Hbond donors: 4
Hbond acceptors: 20
cLogP: 10.25
TPSA: 280.95

SMILES: show
CN(CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCn1cc(COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,305.96
Hbond donors: 4
Hbond acceptors: 17
cLogP: 8.98
TPSA: 233.17

SMILES: show
CN(CCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,457.17
Hbond donors: 4
Hbond acceptors: 20
cLogP: 10.72
TPSA: 263.88

SMILES: show
CN(CCCCCCCn1cc(COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 6.3 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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,286.96
Hbond donors: 4
Hbond acceptors: 16
cLogP: 9.02
TPSA: 217.95

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,314.97
Hbond donors: 4
Hbond acceptors: 16
cLogP: 8.94
TPSA: 235.02

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)CCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,316.99
Hbond donors: 4
Hbond acceptors: 17
cLogP: 8.65
TPSA: 227.18

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,515.21
Hbond donors: 4
Hbond acceptors: 21
cLogP: 10.26
TPSA: 290.18

SMILES: show
CN(CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F)C(=O)CCCCCCn1cc(COCCOCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,394.07
Hbond donors: 4
Hbond acceptors: 19
cLogP: 9.01
TPSA: 251.63

SMILES: show
CN(CCOCCOCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,429.08
Hbond donors: 4
Hbond acceptors: 20
cLogP: 9.08
TPSA: 280.95

SMILES: show
CN(CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F)C(=O)CCCn1cc(COCCOCCNc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)nn1

Linker type: Other
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,404.07
Hbond donors: 5
Hbond acceptors: 18
cLogP: 8.37
TPSA: 265.51

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)NCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,315.02
Hbond donors: 4
Hbond acceptors: 16
cLogP: 9.80
TPSA: 217.95

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,259.94
Hbond donors: 4
Hbond acceptors: 15
cLogP: 10.12
TPSA: 214.71

SMILES: show
CN(CCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,375.02
Hbond donors: 4
Hbond acceptors: 18
cLogP: 8.19
TPSA: 253.48

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)COCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,361.04
Hbond donors: 4
Hbond acceptors: 18
cLogP: 8.67
TPSA: 236.41

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(CCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,357.05
Hbond donors: 4
Hbond acceptors: 16
cLogP: 10.11
TPSA: 235.02

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)CCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,371.08
Hbond donors: 4
Hbond acceptors: 16
cLogP: 10.50
TPSA: 235.02

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=O)CCCCCCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,420.13
Hbond donors: 5
Hbond acceptors: 18
cLogP: 8.54
TPSA: 248.44

SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@@H](CCN5CCN(C(=S)NCCOCCOCCNc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,302.02
Hbond donors: 4
Hbond acceptors: 15
cLogP: 11.29
TPSA: 214.71

SMILES: show
CN(CCCCCCCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CC[C@@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)NC(=O)c2ccc(N3CCN(CC4=C(c5ccc(Cl)cc5)CCC(C)(C)C4)CC3)cc2)cc1S(=O)(=O)C(F)(F)F

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
E3 ligase: VHL
E3 binder: Vh032 Analog
SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](N)C(C)(C)C)cc1

 Ligand Name: ABT-263
Ligand PDB Id: 1XJ
PDB with Ligand: 4QNQ
SMILES: show
CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(N[C@H](CCN5CCOCC5)CSc5ccccc5)c(S(=O)(=O)C(F)(F)F)c4)cc3)CC2)C1

Calculated Values
MW: 1,473.33
Hbond donors: 5
Hbond acceptors: 16
cLogP: 13.19
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 71 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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,487.35
Hbond donors: 5
Hbond acceptors: 16
cLogP: 13.58
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,515.41
Hbond donors: 5
Hbond acceptors: 16
cLogP: 14.36
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,556.42
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.79
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,544.36
Hbond donors: 5
Hbond acceptors: 18
cLogP: 11.24
TPSA: 260.30

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCOCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,579.40
Hbond donors: 5
Hbond acceptors: 20
cLogP: 11.30
TPSA: 267.68

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,459.30
Hbond donors: 5
Hbond acceptors: 16
cLogP: 12.80
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,500.35
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.09
TPSA: 234.00

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,574.39
Hbond donors: 5
Hbond acceptors: 19
cLogP: 10.87
TPSA: 269.53

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCCOCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,502.32
Hbond donors: 5
Hbond acceptors: 18
cLogP: 10.94
TPSA: 243.23

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,445.27
Hbond donors: 5
Hbond acceptors: 16
cLogP: 12.41
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,491.30
Hbond donors: 5
Hbond acceptors: 18
cLogP: 11.27
TPSA: 249.22

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,535.35
Hbond donors: 5
Hbond acceptors: 19
cLogP: 11.28
TPSA: 258.45

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,528.36
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.01
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,542.39
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.40
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 53 nM
Dmax: ~ 100 %
Tested a non-binding E3 control?: No
Tested competition with ligand?: No
Tested proteaseome inhibitor?: No
Proteomics data available?: No
Tested engagement in cells?: Yes
Off-targets reported?: No degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,514.38
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.48
TPSA: 234.00

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
DC50: = 93 nM
Dmax: ~ 90 %
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,528.41
Hbond donors: 5
Hbond acceptors: 17
cLogP: 12.87
TPSA: 234.00

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,542.43
Hbond donors: 5
Hbond acceptors: 17
cLogP: 13.26
TPSA: 234.00

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,546.38
Hbond donors: 5
Hbond acceptors: 19
cLogP: 10.95
TPSA: 252.46

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCN2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,560.36
Hbond donors: 5
Hbond acceptors: 19
cLogP: 10.48
TPSA: 269.53

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: PEG
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,501.38
Hbond donors: 5
Hbond acceptors: 16
cLogP: 13.97
TPSA: 230.76

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCN(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,514.34
Hbond donors: 5
Hbond acceptors: 17
cLogP: 11.62
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,486.28
Hbond donors: 5
Hbond acceptors: 17
cLogP: 10.84
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,500.31
Hbond donors: 5
Hbond acceptors: 17
cLogP: 11.23
TPSA: 251.07

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCC(=O)N2CCN(CC[C@H](CSc3ccccc3)Nc3ccc(S(=O)(=O)NC(=O)c4ccc(N5CCN(CC6=C(c7ccc(Cl)cc7)CCC(C)(C)C6)CC5)cc4)cc3S(=O)(=O)C(F)(F)F)CC2)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon
Calculated Values
MW: 1,487.31
Hbond donors: 5
Hbond acceptors: 16
cLogP: 12.71
TPSA: 247.83

SMILES: show
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCC(=O)N(C)CC[C@H](CSc2ccccc2)Nc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CCC(C)(C)C5)CC4)cc3)cc2S(=O)(=O)C(F)(F)F)C(C)(C)C)cc1

Linker type: Alkane
Incubation time (hours): 48
Cells: MOLT-4
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 degradation of BCL2
Comments: IC50's are for cell viability assays
Contributed by: Ronen Gabizon