| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008841
BDB008841
|
BDBM213902
O=C1CCC(=O)N1c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C19H19N3O3 337.379000 |
UPFJEHNXTSVZTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213902; PubChem:CID59755743
|
Local ready
Direct docking supported
|
|
E3L008842
BDB008842
|
BDBM213903
O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H18FN3O3 355.369000 |
TZKWXSZXKCDRLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213903; PubChem:CID25005022
|
Local ready
Direct docking supported
|
|
E3L008843
BDB008843
|
BDBM213904
O=C(CCCC(=O)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)Nc1ccccc1
|
C26H28N4O3 444.535000 |
LGWAISLRCYKUEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213904; PubChem:CID59755747
|
Local ready
Direct docking supported
|
|
E3L008844
BDB008844
|
BDBM213905
O=C(CCCC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)Nc1ccccc1
|
C26H27FN4O3 462.525000 |
ZVXMHDWHHKUIET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213905; PubChem:CID25002231
|
Local ready
Direct docking supported
|
|
E3L008845
BDB008845
|
BDBM213906
Cc1c(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cnn1-c1ccccc1
|
C26H25N5O2 439.519000 |
AYVMPDKZGFDEKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213906; PubChem:CID59755750
|
Local ready
Direct docking supported
|
|
E3L008846
BDB008846
|
BDBM213907
Cc1c(C(=O)Nc2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cnn1-c1ccccc1
|
C26H24FN5O2 457.509000 |
SSVYIWQWAMGFTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213907; PubChem:CID25002228
|
Local ready
Direct docking supported
|
|
E3L008847
BDB008847
|
BDBM213908
O=C(CCN1CCCCC1)Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H30N4O2 394.519000 |
BITLIGPQZSKYDK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213908; PubChem:CID59755756
|
Local ready
Direct docking supported
|
|
E3L008848
BDB008848
|
BDBM213909
O=C(CCN1CCCCC1)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C23H29FN4O2 412.509000 |
SSVNCMZVCHEGOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213909; PubChem:CID25005730
|
Local ready
Direct docking supported
|
|
E3L008849
BDB008849
|
BDBM213910
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ncccn2)CC1
|
C24H26N6O2 430.512000 |
LRPGIHNBAYXLBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213910; PubChem:CID59755760
|
Local ready
Direct docking supported
|
|
E3L008850
BDB008850
|
BDBM213911
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1
|
C24H25FN6O2 448.502000 |
KIUHBHFVVQQALF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213911; PubChem:CID25002232
|
Local ready
Direct docking supported
|
|
E3L008851
BDB008851
|
BDBM213912
CC(=O)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H26N4O3 394.475000 |
DXDDAOIDRUXXKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213912; PubChem:CID59830125
|
Local ready
Direct docking supported
|
|
E3L008852
BDB008852
|
BDBM213913
CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C22H25FN4O3 412.465000 |
CUWRWDLVFRIMRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213913; PubChem:CID59830099
|
Local ready
Direct docking supported
|
|
E3L008853
BDB008853
|
BDBM213914
CCN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)CC1
|
C22H28N4O2 380.492000 |
ZXFNUHYGGNERBC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213914; PubChem:CID59830123
|
Local ready
Direct docking supported
|
|
E3L008854
BDB008854
|
BDBM213915
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C22H27FN4O2 398.482000 |
KJCHRTHNQHPUHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213915; PubChem:CID59830098
|
Local ready
Direct docking supported
|
|
E3L008855
BDB008855
|
BDBM213916
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccn2)CC1
|
C25H27N5O2 429.524000 |
VTGAOVFIBGQVQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213916; PubChem:CID25151298
|
Local ready
Direct docking supported
|
|
E3L008856
BDB008856
|
BDBM213917
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccccn2)CC1
|
C25H26FN5O2 447.514000 |
ZPDQGDNBLYIOEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213917; PubChem:CID59830100
|
Local ready
Direct docking supported
|
|
E3L008857
BDB008857
|
BDBM213918
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccc2)CC1
|
C26H28N4O2 428.536000 |
DJVPEISPBGGWBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213918; PubChem:CID59830107
|
Local ready
Direct docking supported
|
|
E3L008858
BDB008858
|
BDBM213919
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccccc2)CC1
|
C26H27FN4O2 446.526000 |
BSZNJALFXBEGJY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213919; PubChem:CID59830109
|
Local ready
Direct docking supported
|
|
E3L008859
BDB008859
|
BDBM213920
O=C(c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)N1CCN(c2ccccc2Cl)CC1
|
C26H27ClN4O2 462.981000 |
GVWJZKMEBATZSU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213920; PubChem:CID59830104
|
Local ready
Direct docking supported
|
|
E3L008860
BDB008860
|
BDBM213921
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccccc2Cl)CC1
|
C26H26ClFN4O2 480.971000 |
BMHNUMSRRRPVTJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM213921; PubChem:CID59830101
|
Local ready
Direct docking supported
|