| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009301
BDB009301
|
BDBM214393
COC(=O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C16H16FN3O3 317.320000 |
CTQQZSGJHOUMON-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214393; PubChem:CID25002582
|
Local ready
Direct docking supported
|
|
E3L009302
BDB009302
|
BDBM214394
O=C(O)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C15H14FN3O3 303.293000 |
HFOGOXUKJMPGIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214394; PubChem:CID25122247
|
Local ready
Direct docking supported
|
|
E3L009303
BDB009303
|
BDBM214395
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)N2CCOCC2)CC1
|
C24H29FN6O4 484.532000 |
MAKAEHHWHKFEMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214395; PubChem:CID25002934
|
Local ready
Direct docking supported
|
|
E3L009304
BDB009304
|
BDBM214396
O=C1CCC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C18H17FN4O3 356.357000 |
VBONRFMGBVRMDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214396; PubChem:CID25122249
|
Local ready
Direct docking supported
|
|
E3L009305
BDB009305
|
BDBM214397
O=C(NC1CCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C19H21FN4O2 356.401000 |
ADBCBKUBMDFNBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214397; PubChem:CID25122248
|
Local ready
Direct docking supported
|
|
E3L009306
BDB009306
|
BDBM214398
O=C(CCOc1ccccc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C23H23FN4O3 422.460000 |
HRNJJTRSYGPOBI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214398; PubChem:CID25003290
|
Local ready
Direct docking supported
|
|
E3L009307
BDB009307
|
BDBM214399
O=C(COc1ccc(OCc2ccccc2)cc1)Nc1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C29H27FN4O4 514.557000 |
ZOVVFTZDGPJGOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214399; PubChem:CID25003292
|
Local ready
Direct docking supported
|
|
E3L009308
BDB009308
|
BDBM214400
COc1ccc(OCC(=O)Nc2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)cc1
|
C23H23FN4O4 438.459000 |
PTZORIUDBSTDLU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214400; PubChem:CID25003646
|
Local ready
Direct docking supported
|
|
E3L009309
BDB009309
|
BDBM214401
CCOCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H30FN5O3 443.523000 |
QLOXLNNZECRDGL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214401; PubChem:CID25003642
|
Local ready
Direct docking supported
|
|
E3L009310
BDB009310
|
BDBM214402
O=C(NCCN1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C22H28FN5O2 413.497000 |
NWUZLWBDAIOLDC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214402; PubChem:CID25003643
|
Local ready
Direct docking supported
|
|
E3L009311
BDB009311
|
BDBM214403
O=C(NCC(=O)N1CCCCC1)c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F
|
C22H26FN5O3 427.480000 |
NBOFMLOYCKLJFI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214403; PubChem:CID69090059
|
Local ready
Direct docking supported
|
|
E3L009312
BDB009312
|
BDBM214406
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C24H27FN4O3 438.503000 |
XGXYIXNWQNNHRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214406; PubChem:CID69321008
|
Local ready
Direct docking supported
|
|
E3L009313
BDB009313
|
BDBM214407
CN(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C23H28FN5O3 441.507000 |
KADJOPUADITSDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214407; PubChem:CID69319321
|
Local ready
Direct docking supported
|
|
E3L009314
BDB009314
|
BDBM214408
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)N2CCCCC2)CC1
|
C26H32FN5O3 481.572000 |
WQYWOVPZIPPADX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214408; PubChem:CID69323128
|
Local ready
Direct docking supported
|
|
E3L009315
BDB009315
|
BDBM214409
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cnccn2)CC1
|
C24H25FN6O2 448.502000 |
KDPAETVOXGKZHT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214409; PubChem:CID69321878
|
Local ready
Direct docking supported
|
|
E3L009316
BDB009316
|
BDBM214410
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ccncc2)CC1
|
C25H26FN5O2 447.514000 |
IYGXBRXLKQCVJB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214410; PubChem:CID69323804
|
Local ready
Direct docking supported
|
|
E3L009317
BDB009317
|
BDBM214412
Cc1cncc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)n1
|
C25H27FN6O2 462.529000 |
WXLVBIYQRRIFPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214412; PubChem:CID69323557
|
Local ready
Direct docking supported
|
|
E3L009318
BDB009318
|
BDBM214414
CN(C)CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C24H32FN5O2 441.551000 |
DBTOJVXLRWRAIQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214414; PubChem:CID69323173
|
Local ready
Direct docking supported
|
|
E3L009319
BDB009319
|
BDBM214419
CN(C)CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C23H31FN6O2 442.539000 |
WPZVKHYZBGTHGE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214419; PubChem:CID69321310
|
Local ready
Direct docking supported
|
|
E3L009320
BDB009320
|
BDBM214420
CN1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C21H26FN5O2 399.470000 |
LNVMWHFWKBYMKD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214420; PubChem:CID25122605
|
Local ready
Direct docking supported
|