| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009501
BDB009501
|
BDBM214609
O=C(c1ccc(O)nc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C26H26FN5O4 491.523000 |
MXARDONBHNJGDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214609; PubChem:CID69323868
|
Local ready
Direct docking supported
|
|
E3L009502
BDB009502
|
BDBM214610
O=C(NC1CCN(C(=O)c2ccccn2)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C26H27FN6O3 490.539000 |
IOEAJLBLWIKTLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214610; PubChem:CID25118355
|
Local ready
Direct docking supported
|
|
E3L009503
BDB009503
|
BDBM214611
O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C26H27FN6O3 490.539000 |
UBHQWSOLCKYUNB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214611; PubChem:CID25118354
|
Local ready
Direct docking supported
|
|
E3L009504
BDB009504
|
BDBM214612
O=C(c1ccc2ccccc2n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C30H28FN5O3 525.584000 |
NSYCPEYFJGYKTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214612; PubChem:CID69322368
|
Local ready
Direct docking supported
|
|
E3L009505
BDB009505
|
BDBM214613
N[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C21H26FN5O2 399.470000 |
CUSXLPYWUHKMSH-IRXDYDNUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214613; PubChem:CID25118353
|
Local ready
Direct docking supported
|
|
E3L009506
BDB009506
|
BDBM214614
CCN(CCNC(=O)c1ccccc1)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C27H29FN4O3 476.552000 |
ZJILMGQRTHPDMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214614; PubChem:CID69323186
|
Local ready
Direct docking supported
|
|
E3L009507
BDB009507
|
BDBM214615
CCN(CCNC(=O)N1CCCC1)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C25H32FN5O3 469.561000 |
MHKFKZAOWMVVOX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214615; PubChem:CID69319557
|
Local ready
Direct docking supported
|
|
E3L009508
BDB009508
|
BDBM214616
O=C(NC1CCN(c2ccccn2)CC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C25H27FN6O2 462.529000 |
PCIBPFVDILWHLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214616; PubChem:CID25118008
|
Local ready
Direct docking supported
|
|
E3L009509
BDB009509
|
BDBM214617
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccccn1
|
C26H27FN6O3 490.539000 |
PUCTZWHQUWMNMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214617; PubChem:CID25118007
|
Local ready
Direct docking supported
|
|
E3L009510
BDB009510
|
BDBM214618
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1cccnc1
|
C26H27FN6O3 490.539000 |
FIQHDVVMVYRLGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214618; PubChem:CID25118006
|
Local ready
Direct docking supported
|
|
E3L009511
BDB009511
|
BDBM214619
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccncc1
|
C26H27FN6O3 490.539000 |
QGDNYQNRHQBZPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214619; PubChem:CID25118005
|
Local ready
Direct docking supported
|
|
E3L009512
BDB009512
|
BDBM214620
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccc2cn[nH]c2c1
|
C28H28FN7O3 529.576000 |
NTIPPEZHLBFOAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214620; PubChem:CID25118004
|
Local ready
Direct docking supported
|
|
E3L009513
BDB009513
|
BDBM214621
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1ccco1
|
C25H26FN5O4 479.512000 |
QEJDWZASZDIOMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214621; PubChem:CID25117641
|
Local ready
Direct docking supported
|
|
E3L009514
BDB009514
|
BDBM214622
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1cscn1
|
C24H25FN6O3S 496.568000 |
FQLLEDDDPWHMBX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214622; PubChem:CID25117640
|
Local ready
Direct docking supported
|
|
E3L009515
BDB009515
|
BDBM214623
CN(C(=O)C1CCC1)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C21H24FN3O2 369.440000 |
FYMIVSFCMKOTMU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214623; PubChem:CID69317790
|
Local ready
Direct docking supported
|
|
E3L009516
BDB009516
|
BDBM214624
Cc1nc2cc(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5CCCC6)ccc4F)CC3)ccc2[nH]1
|
C29H29FN6O3 528.588000 |
WHJNSCJCXVGDGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214624; PubChem:CID69321898
|
Local ready
Direct docking supported
|
|
E3L009517
BDB009517
|
BDBM214625
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)c2cccnc2Cl)CC1
|
C26H25ClFN5O3 509.969000 |
NTDMHVWSUWRBHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214625; PubChem:CID87782059
|
Local ready
Direct docking supported
|
|
E3L009518
BDB009518
|
BDBM214626
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cccnc2)CC1
|
C25H26FN5O2 447.514000 |
WIEUHJZPRPZLTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214626; PubChem:CID25151668
|
Local ready
Direct docking supported
|
|
E3L009519
BDB009519
|
BDBM214627
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cncnc2)CC1
|
C24H25FN6O2 448.502000 |
OGMHTTYXZYLIJX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214627; PubChem:CID69321877
|
Local ready
Direct docking supported
|
|
E3L009520
BDB009520
|
BDBM214628
O=C(NC1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1)c1cn[nH]c1
|
C24H26FN7O3 479.516000 |
PEYBBVMICYSOMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214628; PubChem:CID25117639
|
Local ready
Direct docking supported
|