| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009461
BDB009461
|
BDBM214569
CC1(C)SCNC1C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H31FN6O3S 514.627000 |
NJAVCEMNBSJGCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214569; PubChem:CID25120485
|
Local ready
Direct docking supported
|
|
E3L009462
BDB009462
|
BDBM214570
O=C(c1cnccn1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H26FN7O3 491.527000 |
DVFCZEHIJSQZKP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214570; PubChem:CID25120130
|
Local ready
Direct docking supported
|
|
E3L009463
BDB009463
|
BDBM214571
O=C(c1ccco1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H26FN5O4 479.512000 |
XLMWNCRQNFOSHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214571; PubChem:CID69321916
|
Local ready
Direct docking supported
|
|
E3L009464
BDB009464
|
BDBM214572
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cncnc2)CC1
|
C23H24FN7O2 449.490000 |
PHDBXKXWAZJVRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214572; PubChem:CID25120128
|
Local ready
Direct docking supported
|
|
E3L009465
BDB009465
|
BDBM214573
CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1=O
|
C20H22FN5O3 399.426000 |
DFIGPZLCCXTODT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214573; PubChem:CID25120127
|
Local ready
Direct docking supported
|
|
E3L009466
BDB009466
|
BDBM214574
CN(C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)C1CCN(C(=O)OC(C)(C)C)CC1
|
C26H34FN5O4 499.587000 |
SLYAYAIYMDXIMA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214574; PubChem:CID25120126
|
Local ready
Direct docking supported
|
|
E3L009467
BDB009467
|
BDBM214575
CC(C)(C)OC(=O)N1CCC(NC(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H32FN5O4 485.560000 |
OCVHZCUBEKIHAJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214575; PubChem:CID25119783
|
Local ready
Direct docking supported
|
|
E3L009468
BDB009468
|
BDBM214576
CC(C)(C)OC(=O)NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H32FN5O4 485.560000 |
BVZNGUJECYDMKY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214576; PubChem:CID25119782
|
Local ready
Direct docking supported
|
|
E3L009469
BDB009469
|
BDBM214577
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCCN(C(=O)[C@@H]2CSCN2)CC1
|
C24H29FN6O3S 500.600000 |
FCWJHVSQJBDSEY-FQEVSTJZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214577; PubChem:CID25119781
|
Local ready
Direct docking supported
|
|
E3L009470
BDB009470
|
BDBM214578
O=C(c1cc[nH]n1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H26FN7O3 479.516000 |
TVZITSRHYDQZEW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214578; PubChem:CID25119780
|
Local ready
Direct docking supported
|
|
E3L009471
BDB009471
|
BDBM214579
O=C(c1cscn1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C24H25FN6O3S 496.568000 |
KFYVUPLMGMXRDT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214579; PubChem:CID25119779
|
Local ready
Direct docking supported
|
|
E3L009472
BDB009472
|
BDBM214580
O=C(c1cc[nH]n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H24FN7O3 465.489000 |
HXRDYCYTLOKHMT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214580; PubChem:CID25119427
|
Local ready
Direct docking supported
|
|
E3L009473
BDB009473
|
BDBM214581
O=C(c1cscn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H23FN6O3S 482.541000 |
QHYCSTOTSDMEKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214581; PubChem:CID25119426
|
Local ready
Direct docking supported
|
|
E3L009474
BDB009474
|
BDBM214582
CN(C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)C1CCNCC1
|
C21H26FN5O2 399.470000 |
UWTRHMSVPAAJON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214582; PubChem:CID25119425
|
Local ready
Direct docking supported
|
|
E3L009475
BDB009475
|
BDBM214583
O=C(NC1CCNCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C20H24FN5O2 385.443000 |
NJHHUGPMGLZCDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214583; PubChem:CID25119424
|
Local ready
Direct docking supported
|
|
E3L009476
BDB009476
|
BDBM214584
O=C(NC1CCC(O)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C21H25FN4O3 400.454000 |
KUDOXXKATSDUCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214584; PubChem:CID25119422
|
Local ready
Direct docking supported
|
|
E3L009477
BDB009477
|
BDBM214585
CN(C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)C1CCN(C(=O)c2cccnc2)CC1
|
C27H29FN6O3 504.566000 |
QYAHYGOTJCTGSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214585; PubChem:CID25119073
|
Local ready
Direct docking supported
|
|
E3L009478
BDB009478
|
BDBM214586
CCN(CCNC(=O)OC(C)(C)C)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C25H33FN4O4 472.561000 |
URPNGWQCUXNVCO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214586; PubChem:CID69321181
|
Local ready
Direct docking supported
|
|
E3L009479
BDB009479
|
BDBM214587
CN(C(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)C1CCN(C(=O)c2ccncc2)CC1
|
C27H29FN6O3 504.566000 |
UAEHVHOYZMYMSA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214587; PubChem:CID25119072
|
Local ready
Direct docking supported
|
|
E3L009480
BDB009480
|
BDBM214588
O=C(NC1CCN(C(=O)c2ccc3[nH]cnc3c2)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C28H28FN7O3 529.576000 |
SLUJDDSDOXSLCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214588; PubChem:CID25119071
|
Local ready
Direct docking supported
|