| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042581
BDB042581
|
US12459899, Example 146
COC(=O)c1ccc(N2CCN(C(=O)CCc3cc4c(C)ccc(F)c4c(=O)[nH]3)CC2)cc1
|
C25H26FN3O4 451.498000 |
FODCTULYAWPZRP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784054; PubChem:CID156317971
|
Local ready
Direct docking supported
|
|
E3L042582
BDB042582
|
US12459899, Example 147
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C(=O)O)cc4)CC3)cc12
|
C24H24FN3O4 437.471000 |
UIBXMJYKSDXGHN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784055; PubChem:CID156318384
|
Local ready
Direct docking supported
|
|
E3L042583
BDB042583
|
BDBM784056
Cc1ccc(F)c2c(=O)[nH]c(CCC(=O)N3C4CCC3CN(c3ccc(C#N)cc3)C4)cc12
|
C26H25FN4O2 444.510000 |
PROMKWASLQZVPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784056; PubChem:CID156318337
|
Local ready
Direct docking supported
|
|
E3L042584
BDB042584
|
US12459899, Example 149
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cc4)CC3)cc12
|
C24H23FN4O2 418.472000 |
CJGFTHGISFBGCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784057; PubChem:CID156318214
|
Local ready
Direct docking supported
|
|
E3L042585
BDB042585
|
US12459899, Example 150
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)cc4)CC3)cc12
|
C24H22F2N2O2 408.448000 |
BWNCPIVELMQQMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784058; PubChem:CID156318217
|
Local ready
Direct docking supported
|
|
E3L042586
BDB042586
|
US12459899, Example 153
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)c(F)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
JTFGMWXWBPEHMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784061; PubChem:CID156317951
|
Local ready
Direct docking supported
|
|
E3L042587
BDB042587
|
US12459899, Example 154
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(C#N)cc4F)CC3)cc12
|
C24H22F2N4O2 436.462000 |
ROZIDEBPPHKCSQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784062; PubChem:CID156318274
|
Local ready
Direct docking supported
|
|
E3L042588
BDB042588
|
US12459899, Example 155
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)cc12
|
C23H23ClFN3O2 427.907000 |
WUYDWAZOZFSPDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784063; PubChem:CID156332877
|
Local ready
Direct docking supported
|
|
E3L042589
BDB042589
|
US12459899, Example 156
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4cc(C#N)ccc4F)CC3)cc12
|
C24H22F2N4O2 436.462000 |
WZSVWVIAYCTQJJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784064; PubChem:CID156318169
|
Local ready
Direct docking supported
|
|
E3L042590
BDB042590
|
US12459899, Example 157
[C-]#[N+]c1ccc(F)cc1N1CCN(C(=O)CCc2cc3c(C)cc(F)cc3c(=O)[nH]2)CC1
|
C24H22F2N4O2 436.462000 |
DZZLQAKUMMCDBL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784065; PubChem:CID167326907
|
Local ready
Direct docking supported
|
|
E3L042591
BDB042591
|
US12459899, Example 158
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4ccc(F)c(C#N)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
PWLJIDHJQBZUOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784066; PubChem:CID156318111
|
Local ready
Direct docking supported
|
|
E3L042592
BDB042592
|
US12459899, Example 159
[C-]#[N+]c1cc(F)ccc1N1CCN(C(=O)CCc2cc3c(C)cc(F)cc3c(=O)[nH]2)CC1
|
C24H22F2N4O2 436.462000 |
XGOSWNPPHJZCCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784067; PubChem:CID167326910
|
Local ready
Direct docking supported
|
|
E3L042593
BDB042593
|
US12459899, Example 160
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4cc(C#N)ccc4F)CC3)cc12
|
C25H21F2N3O2 433.458000 |
SVLPBHRPQTYGIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784068; PubChem:CID156318183
|
Local ready
Direct docking supported
|
|
E3L042594
BDB042594
|
US12459899, Example 161
[C-]#[N+]c1cc(F)ccc1C1=CCN(C(=O)CCc2cc3c(C)cc(F)cc3c(=O)[nH]2)CC1
|
C25H21F2N3O2 433.458000 |
FKFFWHOWPDYTRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784069; PubChem:CID167326902
|
Local ready
Direct docking supported
|
|
E3L042595
BDB042595
|
US12459899, Example 162
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(F)cc4F)CC3)cc12
|
C24H21F3N2O2 426.438000 |
CWBVDSXNRKTMAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784070; PubChem:CID156317955
|
Local ready
Direct docking supported
|
|
E3L042596
BDB042596
|
US12459899, Example 163
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4cc(F)cc(C#N)c4)CC3)cc12
|
C25H21F2N3O2 433.458000 |
HEOUHDHQAVICTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784071; PubChem:CID156318005
|
Local ready
Direct docking supported
|
|
E3L042597
BDB042597
|
US12459899, Example 164
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4cccc(F)c4)CC3)cc12
|
C24H22F2N2O2 408.448000 |
KSHYERBRKCSRJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784072; PubChem:CID156318049
|
Local ready
Direct docking supported
|
|
E3L042598
BDB042598
|
US12459899, Example 165
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CC=C(c4ccc(C#N)cn4)CC3)cc12
|
C24H21FN4O2 416.456000 |
BIYYDFSUNRTSDD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784073; PubChem:CID156318210
|
Local ready
Direct docking supported
|
|
E3L042599
BDB042599
|
US12459899, Example 166
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4cc(F)cc(C#N)c4)CC3)cc12
|
C24H22F2N4O2 436.462000 |
ATARWDZKNQASAP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784074; PubChem:CID156318070
|
Local ready
Direct docking supported
|
|
E3L042600
BDB042600
|
US12459899, Example 167
Cc1cc(F)cc2c(=O)[nH]c(CCC(=O)N3CCN(c4cccc(F)c4)CC3)cc12
|
C23H23F2N3O2 411.452000 |
LHPYWRWLPGQVDQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM784075; PubChem:CID156318488
|
Local ready
Direct docking supported
|