Calculated Values
MW: 1,002.66 Hbond donors: 4 Hbond acceptors: 15 cLogP: 5.60 TPSA: 211.49 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.1 μM DC50: < 2.5 nM Dmax: > 98 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.57±0.03 and 6.66±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/8.6/7.0/7.4, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 98%/100%/100%/98%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 1,046.71 Hbond donors: 4 Hbond acceptors: 16 cLogP: 5.61 TPSA: 220.72 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.4 μM DC50: < 4 nM Dmax: > 97 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.91±0.04 and 5.90±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.4/8.0/6.5/6.7, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 99%/100%/99%/97%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 958.61 Hbond donors: 4 Hbond acceptors: 14 cLogP: 5.58 TPSA: 202.26 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 1 μM DC50: < 0.1 μM Dmax: > 93 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.75±0.03 and 5.84±0.06, respectively.
pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 7.0/7.0/6.5/6.2, respectively (24h, HeLa cells).
Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 96%/97%/97%/93%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 1,036.69 Hbond donors: 5 Hbond acceptors: 12 cLogP: 7.33 TPSA: 200.76 SMILES: show O=C(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.1 μM DC50: ~ 7.9 nM Dmax: > 90 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.31±0.03 and 6.57±0.02, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/7.6/7.3/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 98%/95%/91%/43%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 992.64 Hbond donors: 5 Hbond acceptors: 11 cLogP: 7.31 TPSA: 191.53 SMILES: show O=C(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 1 μM DC50: ~ 0.1 μM Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.24±0.05 and 6.17±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 6.9/6.7/6.8/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 94%/78%/74%/37%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 1,080.75 Hbond donors: 5 Hbond acceptors: 13 cLogP: 7.34 TPSA: 209.99 SMILES: show O=C(NCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.25 μM DC50: ~ 7.9 nM Dmax: > 90 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.08±0.05 and 6.37±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/7.5/7.7/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 95%/93%/92%/26%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 923.45 Hbond donors: 3 Hbond acceptors: 15 cLogP: 5.77 TPSA: 204.67 SMILES: show CC1=NN=C2N1C3=C(C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NC5=CC=C(C=C5)OCCOCCOCCOCCNC6=C(C7=CC=C6)C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)C(C)=C(C)S3 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 32 nM DC50: < 1 nM Dmax: > 83 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.77±0.06 and 7.46±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 9.2/9.0/9.1/8.2, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 97%/100%/98%/83%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 1,002.66 Hbond donors: 4 Hbond acceptors: 15 cLogP: 5.60 TPSA: 211.49 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.1 μM DC50: < 2.5 nM Dmax: > 98 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.57±0.03 and 6.66±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/8.6/7.0/7.4, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 98%/100%/100%/98%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 958.61 Hbond donors: 4 Hbond acceptors: 14 cLogP: 5.58 TPSA: 202.26 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 1 μM DC50: < 0.1 μM Dmax: > 93 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.75±0.03 and 5.84±0.06, respectively.
pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 7.0/7.0/6.5/6.2, respectively (24h, HeLa cells).
Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 96%/97%/97%/93%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 1,046.71 Hbond donors: 4 Hbond acceptors: 16 cLogP: 5.61 TPSA: 220.72 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.4 μM DC50: < 4 nM Dmax: > 97 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.91±0.04 and 5.90±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.4/8.0/6.5/6.7, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 99%/100%/99%/97%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 923.45 Hbond donors: 3 Hbond acceptors: 15 cLogP: 5.77 TPSA: 204.67 SMILES: show CC1=NN=C2N1C3=C(C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NC5=CC=C(C=C5)OCCOCCOCCOCCNC6=C(C7=CC=C6)C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)C(C)=C(C)S3 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 32 nM DC50: < 1 nM Dmax: > 83 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.77±0.06 and 7.46±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 9.2/9.0/9.1/8.2, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 97%/100%/98%/83%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 923.45 Hbond donors: 3 Hbond acceptors: 15 cLogP: 5.77 TPSA: 204.67 SMILES: show CC1=NN=C2N1C3=C(C(C4=CC=C(C=C4)Cl)=N[C@H]2CC(NC5=CC=C(C=C5)OCCOCCOCCOCCNC6=C(C7=CC=C6)C(N(C7=O)C8CCC(NC8=O)=O)=O)=O)C(C)=C(C)S3 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 32 nM DC50: < 1 nM Dmax: > 83 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.77±0.06 and 7.46±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 9.2/9.0/9.1/8.2, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 97%/100%/98%/83%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 1,002.66 Hbond donors: 4 Hbond acceptors: 15 cLogP: 5.60 TPSA: 211.49 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.1 μM DC50: < 2.5 nM Dmax: > 98 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.57±0.03 and 6.66±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/8.6/7.0/7.4, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 98%/100%/100%/98%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 1,046.71 Hbond donors: 4 Hbond acceptors: 16 cLogP: 5.61 TPSA: 220.72 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.4 μM DC50: < 4 nM Dmax: > 97 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.91±0.04 and 5.90±0.05, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.4/8.0/6.5/6.7, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 99%/100%/99%/97%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 958.61 Hbond donors: 4 Hbond acceptors: 14 cLogP: 5.58 TPSA: 202.26 SMILES: show ClC1=CC=C(C2=N[C@H](C3=NN=C(N3C4=C2C(C)=C(S4)C)C)CC(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N5[C@@H](C[C@@H](O)C5)C(NCC6=CC=C(C7=C(C)N=CS7)C=C6)=O)=O)=O)=O)C=C1 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 1 μM DC50: < 0.1 μM Dmax: > 93 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.75±0.03 and 5.84±0.06, respectively.
pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 7.0/7.0/6.5/6.2, respectively (24h, HeLa cells).
Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 96%/97%/97%/93%, respectively (HeLa cells). Contributed by: Yangwode Jing |
Calculated Values
MW: 1,036.69 Hbond donors: 5 Hbond acceptors: 12 cLogP: 7.33 TPSA: 200.76 SMILES: show O=C(NCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.1 μM DC50: ~ 7.9 nM Dmax: > 90 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.31±0.03 and 6.57±0.02, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/7.6/7.3/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 98%/95%/91%/43%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 992.64 Hbond donors: 5 Hbond acceptors: 11 cLogP: 7.31 TPSA: 191.53 SMILES: show O=C(NCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 1 μM DC50: ~ 0.1 μM Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 6.24±0.05 and 6.17±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 6.9/6.7/6.8/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 94%/78%/74%/37%, respectively (HeLa cells). Contributed by: Yangwode Jing
Calculated Values
MW: 1,080.75 Hbond donors: 5 Hbond acceptors: 13 cLogP: 7.34 TPSA: 209.99 SMILES: show O=C(NCCOCCOCCOCCOCC(N[C@@H](C(C)(C)C)C(N1[C@@H](C[C@@H](O)C1)C(NCC2=CC=C(C3=C(C)N=CS3)C=C2)=O)=O)=O)C4=CC=C(C5=CC6=C(N(C(C)=O)[C@@H](C)C[C@H]6NC7=CC=C(Cl)C=C7)C=C5)C=C4 Linker type: PEG Incubation time (hours): 4, 24, 48 Cells: HeLa, HL60, MV4;11 EC50 (cells): ~ 0.25 μM DC50: ~ 7.9 nM Dmax: > 90 % Off-targets reported?: No Comments: pEC50 for MV4;11 and HL60 cells: 7.08±0.05 and 6.37±0.03, respectively. pDC50 for Brd4 short/Brd4 long/Brd3/Brd2: 8.1/7.5/7.7/NA, respectively (24h, HeLa cells). Dmax for Brd4 short/Brd4 long/Brd3/Brd2: 95%/93%/92%/26%, respectively (HeLa cells). Contributed by: Yangwode Jing |