| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L039581
BDB039581
|
BDBM756580
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c[nH]cc34)CC2)c(C)n1
|
C24H26N6O2 430.512000 |
PHXCOCKVZBWRCP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756580; PubChem:CID172560182
|
Local ready
Direct docking supported
|
|
E3L039582
BDB039582
|
BDBM756581
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3cn(C)cc34)CC2)c(C)n1
|
C25H28N6O2 444.539000 |
QADXMHHSBCIXIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756581; PubChem:CID172560119
|
Local ready
Direct docking supported
|
|
E3L039583
BDB039583
|
BDBM756582
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3sccc34)CC2)c(C)n1
|
C24H24FN5O2S 465.554000 |
JNMWDFWEHGHKSH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756582; PubChem:CID171572886
|
Local ready
Direct docking supported
|
|
E3L039584
BDB039584
|
BDBM756583
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3ocnc34)CC2)c(C)n1
|
C23H23FN6O3 450.474000 |
QKKMIWPBDBLRBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756583; PubChem:CID176807950
|
Local ready
Direct docking supported
|
|
E3L039585
BDB039585
|
BDBM756584
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccoc54)c3F)CC2)c(C)n1
|
C24H24FN5O3 449.486000 |
PGUVCMOKGCYXCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756584; PubChem:CID172560210
|
Local ready
Direct docking supported
|
|
E3L039586
BDB039586
|
BDBM756586
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cn[nH]c54)c3F)CC2)c(C)n1
|
C23H24FN7O2 449.490000 |
UXPFVYUKTWOUJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756586; PubChem:CID172560074
|
Local ready
Direct docking supported
|
|
E3L039587
BDB039587
|
BDBM756587
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cn[nH]c54)c3F)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
OQFPIZQVUQJWMS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756587; PubChem:CID172560099
|
Local ready
Direct docking supported
|
|
E3L039588
BDB039588
|
BDBM756588
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c(C)noc34)CC2)c(C)n1
|
C24H26N6O3 446.511000 |
VGOGMUIBXGGDAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756588; PubChem:CID169781744
|
Local ready
Direct docking supported
|
|
E3L039589
BDB039589
|
BDBM756589
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5cccc45)c3F)CC2)c(C)n1
|
C24H25FN6O2 448.502000 |
GKINWXNZJXERBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756589; PubChem:CID169782053
|
Local ready
Direct docking supported
|
|
E3L039590
BDB039590
|
BDBM756590
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c(F)cnn34)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
JFZQZMDWGYRERP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756590; PubChem:CID169781765
|
Local ready
Direct docking supported
|
|
E3L039591
BDB039591
|
BDBM756591
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(C)n1
|
C23H24FN7O2 449.490000 |
QBRKQCOLYYDKEG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756591; PubChem:CID169782060
|
Local ready
Direct docking supported
|
|
E3L039592
BDB039592
|
BDBM756592
CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)[nH]c(=O)c3c(F)c(C)nn34)CC2)c(C)n1
|
C24H26FN7O2 463.517000 |
XCIJWZABVFOSOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756592; PubChem:CID172560164
|
Local ready
Direct docking supported
|
|
E3L039593
BDB039593
|
BDBM756593
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3cncn34)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
HZWMZRPCQMLTNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756593; PubChem:CID172560215
|
Local ready
Direct docking supported
|
|
E3L039594
BDB039594
|
BDBM756594
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c(c3)[nH]c(=O)c3cncn34)CC2)c(Cl)n1
|
C22H21ClFN7O2 469.908000 |
UMBRPUOTHIKKFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756594; PubChem:CID172560076
|
Local ready
Direct docking supported
|
|
E3L039595
BDB039595
|
BDBM756595
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cncn54)c3F)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
OCMBSADNDFCQMF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756595; PubChem:CID169266012
|
Local ready
Direct docking supported
|
|
E3L039596
BDB039596
|
BDBM756596
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cncn54)c3F)CC2)c(Cl)n1
|
C22H21ClFN7O2 469.908000 |
QUEWPLGGDWWHFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756596; PubChem:CID172560192
|
Local ready
Direct docking supported
|
|
E3L039597
BDB039597
|
BDBM756597
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(C)n1
|
C24H26FN7O2 463.517000 |
BHLFJEGBFOSXBZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756597; PubChem:CID172560040
|
Local ready
Direct docking supported
|
|
E3L039598
BDB039598
|
BDBM756599
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(Cl)cnn54)c3F)CC2)c(C)n1
|
C23H23ClFN7O2 483.935000 |
GCONNFIRFPGVSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756599; PubChem:CID172560118
|
Local ready
Direct docking supported
|
|
E3L039599
BDB039599
|
BDBM756601
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
UVLALEQZYTVIOC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756601; PubChem:CID169266040
|
Local ready
Direct docking supported
|
|
E3L039600
BDB039600
|
BDBM756602
CCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5ccnc45)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
GKDDUFGKCXBWTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM756602; PubChem:CID172560043
|
Local ready
Direct docking supported
|