| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039601
BDB039601
|
BDBM756603
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(C)n1
|
C24H26FN7O2 463.517000 |
XQKNAIQUPRSHRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756603; PubChem:CID172560188
|
Local ready
Direct docking supported
|
|
E3L039602
BDB039602
|
BDBM756604
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1
|
C24H23F2N7O2 479.491000 |
SDVQXIATTBJGOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756604; PubChem:CID169266033
|
Local ready
Direct docking supported
|
|
E3L039603
BDB039603
|
BDBM756605
Cc1nc(C(=O)NC2CC2)ccc1N1CCN(Cc2ccc3c([nH]c(=O)n4ccnc34)c2F)CC1
|
C25H26FN7O2 475.528000 |
BOLCSSPMGIBIIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756605; PubChem:CID172560090
|
Local ready
Direct docking supported
|
|
E3L039604
BDB039604
|
BDBM756606
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5occc54)c3F)CC2)c(F)n1
|
C24H23F2N5O3 467.476000 |
OIGJPECNOVTAFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756606; PubChem:CID169781866
|
Local ready
Direct docking supported
|
|
E3L039605
BDB039605
|
BDBM756607
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5occc54)c3F)CC2)c(F)n1
|
C25H23F2N5O3 479.487000 |
OLWFMUXSWFSUGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756607; PubChem:CID172560048
|
Local ready
Direct docking supported
|
|
E3L039606
BDB039606
|
BDBM756608
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5occc54)c3F)CC2)c(Cl)n1
|
C23H21ClFN5O3 469.904000 |
FGKLDEHYDVIYLP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756608; PubChem:CID172560154
|
Local ready
Direct docking supported
|
|
E3L039607
BDB039607
|
BDBM756609
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3nn(C)cc34)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
SRXVFVHNSMFPEQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756609; PubChem:CID172560030
|
Local ready
Direct docking supported
|
|
E3L039608
BDB039608
|
BDBM756610
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3n[nH]cc34)CC2)c(C)n1
|
C23H25N7O2 431.500000 |
LQANUMTXAWZAOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756610; PubChem:CID172560037
|
Local ready
Direct docking supported
|
|
E3L039609
BDB039609
|
BDBM756611
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c4cnn3C)CC2)c(C)n1
|
C24H27N7O2 445.527000 |
DSRLEZVTVWWOOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756611; PubChem:CID172560016
|
Local ready
Direct docking supported
|
|
E3L039610
BDB039610
|
BDBM756612
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5nccc45)c3F)CC2)c(C)n1
|
C23H24FN7O2 449.490000 |
QKZZYVOLCJAPNL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756612; PubChem:CID172560064
|
Local ready
Direct docking supported
|
|
E3L039611
BDB039611
|
BDBM756613
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CNC5)CC2)c(C)n1
|
C24H28N6O2 432.528000 |
WTJFRJPBBJWPRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756613; PubChem:CID172560066
|
Local ready
Direct docking supported
|
|
E3L039612
BDB039612
|
BDBM756614
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CN(C)C5)CC2)c(C)n1
|
C25H30N6O2 446.555000 |
KAGXOQLJAAMYGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756614; PubChem:CID172560176
|
Local ready
Direct docking supported
|
|
E3L039613
BDB039613
|
BDBM756615
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5cn(C)nc5c4cc3F)CC2)c(C)n1
|
C24H26FN7O2 463.517000 |
YVKZVBLFMBEQSJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756615; PubChem:CID172560047
|
Local ready
Direct docking supported
|
|
E3L039614
BDB039614
|
BDBM756616
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5cn(C)nc5c4cc3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
XBHZTKNYGUXRMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756616; PubChem:CID172560127
|
Local ready
Direct docking supported
|
|
E3L039615
BDB039615
|
BDBM756618
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5nn(C)cc54)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
ZPPKIRUXSFGTQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756618; PubChem:CID172560095
|
Local ready
Direct docking supported
|
|
E3L039616
BDB039616
|
BDBM756619
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3[nH]ccc34)CC2)c(F)n1
|
C23H23FN6O2 434.475000 |
ROBCNBHWNIZWHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756619; PubChem:CID172560185
|
Local ready
Direct docking supported
|
|
E3L039617
BDB039617
|
BDBM756620
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5occc5c4cc3F)CC2)c(F)n1
|
C23H21F2N5O3 453.449000 |
LQTDFTPOUCXQPH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756620; PubChem:CID172560073
|
Local ready
Direct docking supported
|
|
E3L039618
BDB039618
|
BDBM756621
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5occc54)c3C)CC2)c(F)n1
|
C24H24FN5O3 449.486000 |
BLZYPQSTOPUZPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756621; PubChem:CID172560166
|
Local ready
Direct docking supported
|
|
E3L039619
BDB039619
|
BDBM756622
CNC(=O)c1ccc(N2CCN(Cc3cc4[nH]c(=O)c5occc5c4cc3C)CC2)c(F)n1
|
C24H24FN5O3 449.486000 |
AHZFXBYDJSLSCQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756622; PubChem:CID172560224
|
Local ready
Direct docking supported
|
|
E3L039620
BDB039620
|
BDBM756623
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5occc54)c3F)CC2)c(F)n1
|
C23H21F2N5O3 453.449000 |
HOBAVIQYPAGZOY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756623; PubChem:CID171572806
|
Local ready
Direct docking supported
|