| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031361
BDB031361
|
BDBM627151
CCc1nc2cc(C(=O)NCCCCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)ccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
|
C41H41ClN10O3S 789.366000 |
YPMJBYZNTYOLPK-YTTGMZPUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM627151
|
Local ready
Direct docking supported
|
|
E3L031362
BDB031362
|
BDBM627153
CCc1nc2cc(C(=O)NCCOCCOCCNC(=O)C[C@@H]3N=C(c4ccc(Cl)cc4)c4c(sc(C)c4C)-n4c(C)nnc43)ccc2n1-c1ccc2[nH]c(=O)[nH]c2c1
|
C42H43ClN10O5S 835.391000 |
RBFCFVLGGMFHJU-XIFFEERXSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM627153
|
Local ready
Direct docking supported
|
|
E3L031363
BDB031363
|
BDBM627154
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCOCCOCCNC(=O)c1ccc3c(c1)nc(-c1ccnc4ccccc14)n3-c1ccc3[nH]c(=O)[nH]c3c1)c1nnc(C)n1-2
|
C49H44ClN11O5S 934.483000 |
XIZHXRAPFOIFCA-FAIXQHPJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM627154
|
Local ready
Direct docking supported
|
|
E3L031364
BDB031364
|
BDBM627155
Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](CC(=O)NCCCCCNC(=O)c1cccc3c1CCN3C(=O)Nc1ccc3[nH]c(=O)[nH]c3c1)c1nnc(C)n1-2
|
C41H41ClN10O4S 805.365000 |
VMBHLIIQSKNFTN-YTTGMZPUSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB
BindingDB:BDBM627155
|
Local ready
Direct docking supported
|
|
E3L031365
BDB031365
|
BDBM627524
CC1(c2ccc(-c3[nH]c4cc(F)cc5c4c3CONC5=O)cc2)CCCN1
|
C21H20FN3O2 365.408000 |
FBKICCXLQKLXAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM627524; PubChem:CID155033816
|
Local ready
Direct docking supported
|
|
E3L031366
BDB031366
|
BDBM628371
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccnn54)c3F)CC2)c(F)n1
|
C22H21F2N7O2 453.453000 |
HNMFBUFHSRCKPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628371; PubChem:CID169302789
|
Local ready
Direct docking supported
|
|
E3L031367
BDB031367
|
BDBM628432
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccnn54)c3F)CC2)cn1
|
C22H22FN7O2 435.463000 |
GSVIBSIDVASXSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628432; PubChem:CID169302774
|
Local ready
Direct docking supported
|
|
E3L031368
BDB031368
|
BDBM628433
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccnn54)c3F)CC2)c(F)n1
|
C24H23F2N7O2 479.491000 |
TYBZFWDSFYRLGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628433; PubChem:CID169302795
|
Local ready
Direct docking supported
|
|
E3L031369
BDB031369
|
BDBM628434
Cc1cc2c(=O)[nH]c3c(F)c(CN4CCN(c5ccc(C(=O)NC6CC6)nc5F)CC4)ccc3n2n1
|
C25H25F2N7O2 493.518000 |
JFHWEAQATAEPIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628434; PubChem:CID169302776
|
Local ready
Direct docking supported
|
|
E3L031370
BDB031370
|
BDBM628436
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cc(C)nn54)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
FXNJFPDCYISEEA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628436; PubChem:CID169302751
|
Local ready
Direct docking supported
|
|
E3L031371
BDB031371
|
US20250215013, Example 44
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccoc54)c3F)CC2)c(F)n1
|
C23H21F2N5O3 453.449000 |
IXGZNTGACBFAFA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628437; PubChem:CID169302803
|
Local ready
Direct docking supported
|
|
E3L031372
BDB031372
|
BDBM628438
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)n5cccc45)c3F)CC2)c(F)n1
|
C23H22F2N6O2 452.465000 |
QAFJTICJXIEQOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628438; PubChem:CID169302759
|
Local ready
Direct docking supported
|
|
E3L031373
BDB031373
|
BDBM628439
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(Cl)cnn54)c3F)CC2)c(F)n1
|
C22H20ClF2N7O2 487.898000 |
AFVMAFOLQJXDAD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628439; PubChem:CID169302801
|
Local ready
Direct docking supported
|
|
E3L031374
BDB031374
|
BDBM628440
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)c(F)n1
|
C23H23F2N5O3 455.465000 |
HREIUYKHSFUJTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628440; PubChem:CID169266039
|
Local ready
Direct docking supported
|
|
E3L031375
BDB031375
|
BDBM628442
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cccn54)c3F)CC2)c(F)n1
|
C23H22F2N6O2 452.465000 |
SGXQVSMKIFXONE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628442; PubChem:CID169266060
|
Local ready
Direct docking supported
|
|
E3L031376
BDB031376
|
BDBM628443
O=C(NCC(F)F)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccoc54)c3F)CC2)c(F)n1
|
C24H21F4N5O3 503.456000 |
YWIRQHPKTVFUJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628443; PubChem:CID169302814
|
Local ready
Direct docking supported
|
|
E3L031377
BDB031377
|
BDBM628444
O=C(NCC(F)F)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccnn54)c3F)CC2)c(F)n1
|
C23H21F4N7O2 503.460000 |
VSPZAEQHOWIGKL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628444; PubChem:CID169302784
|
Local ready
Direct docking supported
|
|
E3L031378
BDB031378
|
BDBM628445
Cc1cc2c(=O)[nH]c3c(F)c(CN4CCN(c5ccc(C(=O)NCC(F)F)nc5F)CC4)ccc3n2n1
|
C24H23F4N7O2 517.487000 |
PXCAJPZVFYBCIX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628445; PubChem:CID169302761
|
Local ready
Direct docking supported
|
|
E3L031379
BDB031379
|
BDBM628446
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccoc54)c3F)CC2)c(F)n1
|
C25H23F2N5O3 479.487000 |
BSGQQMGAFBUOQS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628446; PubChem:CID169302799
|
Local ready
Direct docking supported
|
|
E3L031380
BDB031380
|
BDBM628447
O=C(NCC(F)F)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)c(F)n1
|
C24H23F4N5O3 505.472000 |
VSEBYLJEXWWUEE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628447; PubChem:CID169302747
|
Local ready
Direct docking supported
|