| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055721
BDB055721
|
BDBM50427928
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCc2cccc3c2C1CNC3
|
C27H23FN4O2 454.505000 |
MEYSIIARMBKDPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427928; PubChem:CID71604716
|
Local ready
Direct docking supported
|
|
E3L055722
BDB055722
|
BDBM50427929
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C33H30FN5O4 579.632000 |
CSCBNPVHZXDTDS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427929; PubChem:CID71604566
|
Local ready
Direct docking supported
|
|
E3L055723
BDB055723
|
BDBM50427930
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CCCN1C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C32H28FN5O4 565.605000 |
NQFRITQTCVVWDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427930; PubChem:CID71604565
|
Local ready
Direct docking supported
|
|
E3L055724
BDB055724
|
BDBM50427931
O=C(NCC(=O)N1CCc2cccc3c2C1CNC3=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C29H24FN5O4 525.540000 |
PBMMHDQDTAQWPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427931; PubChem:CID71604564
|
Local ready
Direct docking supported
|
|
E3L055725
BDB055725
|
BDBM50427932
Cc1cc(Cc2ccc(F)c(C(=O)N3CCc4cccc5c4C3CNC5=O)c2)n[nH]c1=O
|
C24H21FN4O3 432.455000 |
PXDXGLIHYJKJSB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427932; PubChem:CID71604562
|
Local ready
Direct docking supported
|
|
E3L055726
BDB055726
|
BDBM50427933
O=C1NCC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C27H25FN4O3 472.520000 |
TVBKHZSIZHGSNW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427933; PubChem:CID71606889
|
Local ready
Direct docking supported
|
|
E3L055727
BDB055727
|
BDBM50427934
O=C1NCC2c3c(cccc31)CCN2C(=O)c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F
|
C27H21FN4O3 468.488000 |
LWIZMEPNSZKHGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427934; PubChem:CID71606888
|
Local ready
Direct docking supported
|
|
E3L055728
BDB055728
|
BDBM50427935
O=C(CN1CCc2cccc3c2C1CNC3=O)N[C@@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1
|
C33H33FN4O3 552.650000 |
ITFKXJTWHCODGA-XLTVJXRZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50427935
|
Local ready
Direct docking supported
|
|
E3L055729
BDB055729
|
BDBM50427936
O=C(CN1CCc2cccc3c2C1CNC3=O)N[C@H](Cc1ccccc1)C(=O)N1CC=C(c2ccc(F)cc2)CC1
|
C33H33FN4O3 552.650000 |
ITFKXJTWHCODGA-FICMROCWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50427936
|
Local ready
Direct docking supported
|
|
E3L055730
BDB055730
|
BDBM50427937
C[C@H](NC(=O)CN1CCc2cccc3c2C1CNC3=O)C(=O)N1CC=C(c2ccc(F)cc2)CC1
|
C27H29FN4O3 476.552000 |
GXUDQLGOCXKORM-NVHKAFQKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427937; PubChem:CID71605390
|
Local ready
Direct docking supported
|
|
E3L055731
BDB055731
|
BDBM50427938
C[C@@H](NC(=O)CN1CCc2cccc3c2C1CNC3=O)C(=O)N1CC=C(c2ccc(F)cc2)CC1
|
C27H29FN4O3 476.552000 |
GXUDQLGOCXKORM-LIXIDFRTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427938; PubChem:CID71605210
|
Local ready
Direct docking supported
|
|
E3L055732
BDB055732
|
BDBM50427939
O=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CC=C(c2ccc(F)cc2)CC1
|
C27H29FN4O3 476.552000 |
NVLMVSWFQLCUQH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427939; PubChem:CID71606887
|
Local ready
Direct docking supported
|
|
E3L055733
BDB055733
|
BDBM50427940
O=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CCN(c2ccccn2)CC1
|
C25H30N6O3 462.554000 |
XWZNGRZPRFZXJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427940; PubChem:CID71718052
|
Local ready
Direct docking supported
|
|
E3L055734
BDB055734
|
BDBM50427941
O=C(CCN1CCc2cccc3c2C1CNC3=O)NCC(=O)N1CCN(c2ccccc2F)CC1
|
C26H30FN5O3 479.556000 |
SIMOJUUGNCRQQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427941; PubChem:CID71606885
|
Local ready
Direct docking supported
|
|
E3L055735
BDB055735
|
BDBM50427942
COc1ccc(N2CCN(C(=O)CNC(=O)CCCN3CCc4cccc5c4C3CNC5=O)CC2)cc1
|
C28H35N5O4 505.619000 |
NMRKBOTUPOLSGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427942; PubChem:CID71606728
|
Local ready
Direct docking supported
|
|
E3L055736
BDB055736
|
BDBM50427943
COc1ccc(N2CCN(C(=O)CNC(=O)CCN3CCc4cccc5c4C3CNC5=O)CC2)cc1
|
C27H33N5O4 491.592000 |
MWGAMVLAWASVOI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427943; PubChem:CID71606727
|
Local ready
Direct docking supported
|
|
E3L055737
BDB055737
|
BDBM50427944
COc1ccc(N2CCN(C(=O)CNC(=O)CN3CCc4cccc5c4C3CNC5=O)CC2)cc1
|
C26H31N5O4 477.565000 |
BXNKPOSELVGUTL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427944; PubChem:CID71606726
|
Local ready
Direct docking supported
|
|
E3L055738
BDB055738
|
BDBM50427945
O=C1NCC2c3c(cccc31)CCN2CC(=O)N1CCn2c(nnc2C(F)(F)F)C1
|
C19H19F3N6O2 420.395000 |
YQXOWWHJBCAXHI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427945; PubChem:CID71606725
|
Local ready
Direct docking supported
|
|
E3L055739
BDB055739
|
BDBM50427946
O=C1NCC2c3c(cccc31)CCN2CC(=O)N1CC2CCCNC2C1
|
C20H26N4O2 354.454000 |
KOMJGGQZGQXNRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427946; PubChem:CID71606724
|
Local ready
Direct docking supported
|
|
E3L055740
BDB055740
|
BDBM50427947
O=C1NCC2c3c(cccc31)CCN2CC(=O)N1CCC2CNCC21
|
C19H24N4O2 340.427000 |
HXMCURNZOSPNHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50427947; PubChem:CID71606723
|
Local ready
Direct docking supported
|