| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009261
BDB009261
|
BDBM214337
CCOc1cc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)ccc1OC
|
C27H31N3O4 461.562000 |
QSEPFHVKRXWZJM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214337; PubChem:CID69047857
|
Local ready
Direct docking supported
|
|
E3L009262
BDB009262
|
BDBM214338
CCOc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1OC
|
C27H31N3O4 461.562000 |
DZWHNYOXEZTSEP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214338; PubChem:CID69045015
|
Local ready
Direct docking supported
|
|
E3L009263
BDB009263
|
BDBM214339
COc1cccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1OC
|
C26H29N3O4 447.535000 |
JWELOUWAXJITKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214339; PubChem:CID69044859
|
Local ready
Direct docking supported
|
|
E3L009264
BDB009264
|
BDBM214340
COc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(OC)c1
|
C26H29N3O4 447.535000 |
HGZLWHCALBQEEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214340; PubChem:CID69043320
|
Local ready
Direct docking supported
|
|
E3L009265
BDB009265
|
BDBM214341
COc1ccc(OC)c(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C26H29N3O4 447.535000 |
QHVFREQLGJYQLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214341; PubChem:CID69043861
|
Local ready
Direct docking supported
|
|
E3L009266
BDB009266
|
BDBM214342
COc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1OC
|
C26H29N3O4 447.535000 |
QKOBXEKBHBVJIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214342; PubChem:CID69043836
|
Local ready
Direct docking supported
|
|
E3L009267
BDB009267
|
BDBM214343
COc1cc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc(OC)c1
|
C26H29N3O4 447.535000 |
HWCCKQBLPBEWMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214343; PubChem:CID69044949
|
Local ready
Direct docking supported
|
|
E3L009268
BDB009268
|
BDBM214344
O=C(NCCc1ccc2c(c1)OCO2)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H25N3O4 431.492000 |
ISBLVOFJEQFLJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214344; PubChem:CID69090056
|
Local ready
Direct docking supported
|
|
E3L009269
BDB009269
|
BDBM214345
O=C(NCCc1cccc(Cl)c1Cl)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H23Cl2N3O2 456.373000 |
ONFCUKBCFAFXEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214345; PubChem:CID69045526
|
Local ready
Direct docking supported
|
|
E3L009270
BDB009270
|
BDBM214346
O=C(NCCc1ccc(Cl)c(Cl)c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H23Cl2N3O2 456.373000 |
PODZKOKTESMDSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214346; PubChem:CID69044123
|
Local ready
Direct docking supported
|
|
E3L009271
BDB009271
|
BDBM214347
O=C(NCCc1c(Cl)cccc1Cl)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H23Cl2N3O2 456.373000 |
VVOUIKCZCHRYTA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214347; PubChem:CID69044903
|
Local ready
Direct docking supported
|
|
E3L009272
BDB009272
|
BDBM214348
CC1(C)O[C@@H]2[C@H](O1)[C@@H]1C[C@H]2N(c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1=O
|
C24H26FN3O4 439.487000 |
VLFTZHJGWPHSFW-NOOVBMIQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214348; PubChem:CID69309745
|
Local ready
Direct docking supported
|
|
E3L009273
BDB009273
|
BDBM214349
CC(c1ccc(F)c(Br)c1)c1n[nH]c(=O)c2c1CCCC2
|
C16H16BrFN2O 351.219000 |
RIFDMRFHBVMDOW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214349; PubChem:CID69044189
|
Local ready
Direct docking supported
|
|
E3L009274
BDB009274
|
BDBM214350
CC(c1ccc(F)c(N2CCCC2=O)c1)c1n[nH]c(=O)c2c1CCCC2
|
C20H22FN3O2 355.413000 |
WZMVGUUDTBSOAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214350; PubChem:CID69047475
|
Local ready
Direct docking supported
|
|
E3L009275
BDB009275
|
BDBM214351
O=c1[nH]nc(Cc2ccc(F)c(Br)c2)c2ncccc12
|
C14H9BrFN3O 334.148000 |
SXDPPUKPIMKVLH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214351; PubChem:CID69042834
|
Local ready
Direct docking supported
|
|
E3L009276
BDB009276
|
BDBM214352
CCN(CCN(C)C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C22H30N4O2 382.508000 |
NDQUQWAJUSEJKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214352; PubChem:CID69044869
|
Local ready
Direct docking supported
|
|
E3L009277
BDB009277
|
BDBM214353
CCN(CC)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H32N4O2 396.535000 |
LSRZBZWRGJSECG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214353; PubChem:CID69042940
|
Local ready
Direct docking supported
|
|
E3L009278
BDB009278
|
BDBM214354
CCN(Cc1ccccc1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O2 401.510000 |
QADTYKVSGGSTQL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214354; PubChem:CID69042868
|
Local ready
Direct docking supported
|
|
E3L009279
BDB009279
|
BDBM214355
CC(C)N(Cc1ccccc1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H29N3O2 415.537000 |
YEGGHVHPBLSQTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214355; PubChem:CID69043436
|
Local ready
Direct docking supported
|
|
E3L009280
BDB009280
|
BDBM214356
CCCCN(Cc1ccccc1)C(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C27H31N3O2 429.564000 |
KCWYVDDISSDNDW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214356; PubChem:CID69042161
|
Local ready
Direct docking supported
|