| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L035901
BDB035901
|
BDBM718799
Cc1cc(CN2CCC[C@H](C)C2)cc2c(=O)c(-c3cccc([C@](F)(c4nncn4C)C4CC4)c3)coc12
|
C30H33FN4O2 500.618000 |
SGPWXJZDVIXXHU-ADSBAMQRSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718799; PubChem:CID170270228
|
Local ready
Direct docking supported
|
|
E3L035902
BDB035902
|
BDBM718800
Cc1cc(CN2CCC[C@H](C)C2)cc2c(=O)c(-c3cccc([C@@](F)(c4nncn4C)C4CC4)c3)coc12
|
C30H33FN4O2 500.618000 |
SGPWXJZDVIXXHU-WWOZWPLTSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718800; PubChem:CID168237960
|
Local ready
Direct docking supported
|
|
E3L035903
BDB035903
|
BDBM718801
Cc1c(F)c(CN2CCC[C@H](C)C2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12
|
C31H35FN4O2 514.645000 |
RRIXKQCSCXYSIF-ZBMLAXNMSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718801
|
Local ready
Direct docking supported
|
|
E3L035904
BDB035904
|
BDBM718802
Cc1c(F)c(CNC2(C)CCC2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12
|
C30H33FN4O2 500.618000 |
IXFOYWOSPJFVRU-GGCACFJLSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718802
|
Local ready
Direct docking supported
|
|
E3L035905
BDB035905
|
BDBM718803
Cc1cc(C(C)NC2(C)CCC2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12
|
C31H36N4O2 496.655000 |
DQTAVOUJJZQUFT-FZADHCKQSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718803
|
Local ready
Direct docking supported
|
|
E3L035906
BDB035906
|
BDBM718804
Cc1c(F)c(CN2CCC[C@H](C)C2)cc2c(=O)c(-c3cccc(C(c4nncn4C)C4CC4)c3)coc12
|
C30H33FN4O2 500.618000 |
QMMGOVDCALDMOT-MDYZWHIJSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718804; PubChem:CID168237921
|
Local ready
Direct docking supported
|
|
E3L035907
BDB035907
|
BDBM718805
CC(NC1(C)CCC1)c1cc(C(F)(F)F)c2ncc(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)c(=O)n2c1
|
C30H33F3N6O 550.629000 |
MMTUEJNVIFLGLA-FHVJBXATSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718805
|
Local ready
Direct docking supported
|
|
E3L035908
BDB035908
|
BDBM718806
Cc1cc(C(C)NC2(C)CCC2)cc2c(=O)c(-c3cccc([C@]4(c5nncn5C)C[C@@H](C)C4)c3)coc12
|
C31H36N4O2 496.655000 |
DQTAVOUJJZQUFT-FZADHCKQSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB
BindingDB:BDBM718806
|
Local ready
Direct docking supported
|
|
E3L035909
BDB035909
|
BDBM718807
Cc1cc(CN2CCC[C@H](C)C2)cc2c(=O)c(-c3cccc(C(F)(c4nncn4C)C(F)(F)F)c3)coc12
|
C28H28F4N4O2 528.550000 |
WJGASIPEKQHLSL-OIGLVOGNSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718807; PubChem:CID168237941
|
Local ready
Direct docking supported
|
|
E3L035910
BDB035910
|
BDBM718808
Cc1cc(CN2CCC(F)(F)[C@H](C)C2)cc2c(=O)c(-c3cccc(C(F)(c4nncn4C)C4CC4)c3)coc12
|
C30H31F3N4O2 536.598000 |
AWYKMGFPVZDMQR-HZRSZRRBSA-N | Q13191 | Ubiquitin-conjugating enzyme E2 D2 |
BindingDB, PubChem
BindingDB:BDBM718808; PubChem:CID168237938
|
Local ready
Direct docking supported
|
|
E3L035911
BDB035911
|
US20250051324, Example 1
CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1
|
C23H24F3N5O2 459.472000 |
RVKIODKELWOUEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720206; PubChem:CID175681731
|
Local ready
Direct docking supported
|
|
E3L035912
BDB035912
|
US20250051324, Example 1
CNC(=O)c1ccc(N2CCN(Cc3cc4c(cn3)C(C)=C(C(F)(F)F)C(=O)C4)CC2)cn1
|
C23H24F3N5O2 459.472000 |
RVKIODKELWOUEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720207; PubChem:CID175681731
|
Local ready
Direct docking supported
|
|
E3L035913
BDB035913
|
US20250051324, Example 3
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(CC#N)C2)cn1
|
C25H25F3N6O2 498.509000 |
XUEVACVDMGTFMC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720208; PubChem:CID175681732
|
Local ready
Direct docking supported
|
|
E3L035914
BDB035914
|
US20250051324, Example 5
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(CCO)C2)cn1
|
C25H28F3N5O3 503.525000 |
HRQIWCFSPDTCRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720209; PubChem:CID175681733
|
Local ready
Direct docking supported
|
|
E3L035915
BDB035915
|
US20250051324, Example 5
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(CCO)C2)cn1
|
C25H28F3N5O3 503.525000 |
HRQIWCFSPDTCRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720210; PubChem:CID175681733
|
Local ready
Direct docking supported
|
|
E3L035916
BDB035916
|
US20250051324, Example 8
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(COC)C2)cn1
|
C25H28F3N5O3 503.525000 |
QVHAWQBXDKJQQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720211; PubChem:CID175681734
|
Local ready
Direct docking supported
|
|
E3L035917
BDB035917
|
US20250051324, Example 10
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2C)cn1
|
C24H26F3N5O2 473.499000 |
COFWMMMCLUXKJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720212; PubChem:CID175681735
|
Local ready
Direct docking supported
|
|
E3L035918
BDB035918
|
US20250051324, Example 11
CNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)C(C)C2)cn1
|
C24H26F3N5O2 473.499000 |
BYRSMXQNHWADRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720213; PubChem:CID175681736
|
Local ready
Direct docking supported
|
|
E3L035919
BDB035919
|
US20250051324, Example 12
CNC(=O)c1ccc(N2CC3CCC(C2)N3Cc2cnc3c(c2)CC(=O)C(C(F)(F)F)=C3C)cn1
|
C25H26F3N5O2 485.510000 |
QAPWQKNLFSOPBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720214; PubChem:CID175681737
|
Local ready
Direct docking supported
|
|
E3L035920
BDB035920
|
US20250051324, Example 13
CNS(=O)(=O)c1ccc(N2CCN(Cc3cnc4c(c3)CC(=O)C(C(F)(F)F)=C4C)CC2)cc1
|
C23H25F3N4O3S 494.539000 |
OSPFJATYTOFODI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM720215; PubChem:CID175681738
|
Local ready
Direct docking supported
|