| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009441
BDB009441
|
BDBM214549
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncncn2)CC1
|
C23H24FN7O2 449.490000 |
MPZSQXGTKRCBLO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214549; PubChem:CID69320970
|
Local ready
Direct docking supported
|
|
E3L009442
BDB009442
|
BDBM214550
O=C1NC(Cc2ccccc2)C(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C25H23FN4O3 446.482000 |
MABYOWXNECJXOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214550; PubChem:CID69318146
|
Local ready
Direct docking supported
|
|
E3L009443
BDB009443
|
BDBM214551
O=C(c1ccc(Cl)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C26H25ClFN5O3 509.969000 |
NQOVKLGYUNTSGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214551; PubChem:CID87782813
|
Local ready
Direct docking supported
|
|
E3L009444
BDB009444
|
BDBM214552
O=C(c1cscn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C24H24FN5O3S 481.553000 |
ICSCMXBFRGCKFU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214552; PubChem:CID69321926
|
Local ready
Direct docking supported
|
|
E3L009445
BDB009445
|
BDBM214553
O=C1CCC(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)N1
|
C25H28FN5O4 481.528000 |
JEZSSTFYSQKZPU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214553; PubChem:CID69321732
|
Local ready
Direct docking supported
|
|
E3L009446
BDB009446
|
BDBM214554
CC1(C)SCN[C@@H]1C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C26H32FN5O3S 513.639000 |
FRAFUHKXICZPQX-JOCHJYFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214554; PubChem:CID69321695
|
Local ready
Direct docking supported
|
|
E3L009447
BDB009447
|
BDBM214555
O=C(c1cc[nH]n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C24H25FN6O3 464.501000 |
YXLQMPQABXLLRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214555; PubChem:CID69323706
|
Local ready
Direct docking supported
|
|
E3L009448
BDB009448
|
BDBM214556
O=C(c1cnccn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C25H25FN6O3 476.512000 |
SVELZHHPCBLOJS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214556; PubChem:CID69320411
|
Local ready
Direct docking supported
|
|
E3L009449
BDB009449
|
BDBM214557
O=C(c1ccc2[nH]cnc2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C28H27FN6O3 514.561000 |
FCFNMHXERCAEBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214557; PubChem:CID69321254
|
Local ready
Direct docking supported
|
|
E3L009450
BDB009450
|
BDBM214558
CNc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C16H18FN3O 287.338000 |
BVLAHVFEMLWVFB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214558; PubChem:CID69321591
|
Local ready
Direct docking supported
|
|
E3L009451
BDB009451
|
BDBM214559
O=C(c1ccncc1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C26H27FN6O3 490.539000 |
ATHJVZIERUNVMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214559; PubChem:CID69323146
|
Local ready
Direct docking supported
|
|
E3L009452
BDB009452
|
BDBM214560
O=C(c1cccnc1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C26H27FN6O3 490.539000 |
AHULUJSEFJDWPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214560; PubChem:CID69321000
|
Local ready
Direct docking supported
|
|
E3L009453
BDB009453
|
BDBM214561
O=C(c1ccccn1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C26H27FN6O3 490.539000 |
YTSCLGTXLPKTMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214561; PubChem:CID69323984
|
Local ready
Direct docking supported
|
|
E3L009454
BDB009454
|
BDBM214562
O=C(c1cncnc1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H26FN7O3 491.527000 |
AQXZYXJYTRXHKS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214562; PubChem:CID69318072
|
Local ready
Direct docking supported
|
|
E3L009455
BDB009455
|
BDBM214563
O=C(c1ccc2nc[nH]c2c1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C28H28FN7O3 529.576000 |
XUIZKMTUMAMJOE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214563; PubChem:CID25120834
|
Local ready
Direct docking supported
|
|
E3L009456
BDB009456
|
BDBM214564
O=C(c1ccc2ccccc2n1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C30H29FN6O3 540.599000 |
HQANVYMHHMZZFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214564; PubChem:CID25120833
|
Local ready
Direct docking supported
|
|
E3L009457
BDB009457
|
BDBM214565
O=C(c1cnc2ccccc2c1)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C30H29FN6O3 540.599000 |
CJYMJGXIZCCZHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214565; PubChem:CID25120489
|
Local ready
Direct docking supported
|
|
E3L009458
BDB009458
|
BDBM214566
Cc1nc2cc(C(=O)N3CCCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5NCCC6)ccc4F)CC3)ccc2[nH]1
|
C29H30FN7O3 543.603000 |
CMPIVLGXURZTML-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214566; PubChem:CID25120488
|
Local ready
Direct docking supported
|
|
E3L009459
BDB009459
|
BDBM214567
CC(C)n1nnc2cc(C(=O)N3CCCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5NCCC6)ccc4F)CC3)ccc21
|
C30H33FN8O3 572.645000 |
RSNZMLOELWMXHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214567; PubChem:CID25120487
|
Local ready
Direct docking supported
|
|
E3L009460
BDB009460
|
BDBM214568
O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C27H26F2N4O3 492.526000 |
RSGOPYWKVOFFCN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214568; PubChem:CID25120486
|
Local ready
Direct docking supported
|