| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009401
BDB009401
|
BDBM214509
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
|
C27H26F4N4O2 514.523000 |
GITKOLIETAIDAS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214509; PubChem:CID69323161
|
Local ready
Direct docking supported
|
|
E3L009402
BDB009402
|
BDBM214510
COc1ccc(C(=O)N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)cc1
|
C28H29FN4O4 504.562000 |
XMDOYWDWQHEYDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214510; PubChem:CID69323260
|
Local ready
Direct docking supported
|
|
E3L009403
BDB009403
|
BDBM214511
COc1ccc(N2CCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)cc1
|
C27H29FN4O3 476.552000 |
IFUMVWGSVRBQHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214511; PubChem:CID69317831
|
Local ready
Direct docking supported
|
|
E3L009404
BDB009404
|
BDBM214512
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)C2CCCCC2)CC1
|
C27H33FN4O3 480.584000 |
IGZFQMSDKYHVMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214512; PubChem:CID69323853
|
Local ready
Direct docking supported
|
|
E3L009405
BDB009405
|
BDBM214513
O=C(O)CNC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H19FN4O4 374.372000 |
CUWYCLMMOMWUND-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214513; PubChem:CID69318615
|
Local ready
Direct docking supported
|
|
E3L009406
BDB009406
|
BDBM214514
CC(C)C[C@H](NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C(=O)O
|
C22H27FN4O4 430.480000 |
WVAZYQUKSAKTPT-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214514; PubChem:CID69323968
|
Local ready
Direct docking supported
|
|
E3L009407
BDB009407
|
BDBM214515
C[C@H](NC(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)C(=O)O
|
C19H21FN4O4 388.399000 |
VUTUDGGWKHSUQP-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214515; PubChem:CID69323488
|
Local ready
Direct docking supported
|
|
E3L009408
BDB009408
|
BDBM214516
O=C(Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N[C@@H](Cc1ccccc1)C(=O)O
|
C25H25FN4O4 464.497000 |
OQOVGDIVPFWRSL-QFIPXVFZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214516; PubChem:CID69319774
|
Local ready
Direct docking supported
|
|
E3L009409
BDB009409
|
BDBM214517
O=C1CNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C18H17FN4O3 356.357000 |
BQMSDYUTJBPUDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214517; PubChem:CID69321823
|
Local ready
Direct docking supported
|
|
E3L009410
BDB009410
|
BDBM214518
COc1ccccc1N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C26H28FN5O3 477.540000 |
FNLHEMLHZOFHTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214518; PubChem:CID69321184
|
Local ready
Direct docking supported
|
|
E3L009411
BDB009411
|
BDBM214519
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2ncncn2)CC1
|
C22H23FN8O2 450.478000 |
WRNLDONUDVOSBO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214519; PubChem:CID69317717
|
Local ready
Direct docking supported
|
|
E3L009412
BDB009412
|
BDBM214520
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2COc3ccccc3O2)CC1
|
C28H28FN5O5 533.560000 |
SQVWABICEWECGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214520; PubChem:CID69319775
|
Local ready
Direct docking supported
|
|
E3L009413
BDB009413
|
BDBM214521
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCCN(C(=O)C2CC2)CC1
|
C25H29FN4O3 452.530000 |
LELMGEVUZAOQTO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214521; PubChem:CID69319264
|
Local ready
Direct docking supported
|
|
E3L009414
BDB009414
|
BDBM214522
CC1(C(=O)N2CCCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)CC1
|
C26H31FN4O3 466.557000 |
SCYALTLVMIFQFJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214522; PubChem:CID69323740
|
Local ready
Direct docking supported
|
|
E3L009415
BDB009415
|
BDBM214523
Cn1cnc(C(=O)N2CCCN(C(=O)c3cc(Cc4n[nH]c(=O)c5c4CCCC5)ccc3F)CC2)c1
|
C26H29FN6O3 492.555000 |
PUKBOQODQBJURB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214523; PubChem:CID69323904
|
Local ready
Direct docking supported
|
|
E3L009416
BDB009416
|
BDBM214524
Cn1cncc1C(=O)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1
|
C26H29FN6O3 492.555000 |
DOBDZWBJCFYWIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214524; PubChem:CID69321713
|
Local ready
Direct docking supported
|
|
E3L009417
BDB009417
|
BDBM214525
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)[C@@H]2CSCN2)CC1
|
C23H27FN6O3S 486.573000 |
AIHYYPUKYZFECJ-IBGZPJMESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214525; PubChem:CID69320363
|
Local ready
Direct docking supported
|
|
E3L009418
BDB009418
|
BDBM214526
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C(=O)C2CCCC2)CC1
|
C25H30FN5O3 467.545000 |
DARRMYXJIWEZSO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214526; PubChem:CID69323817
|
Local ready
Direct docking supported
|
|
E3L009419
BDB009419
|
BDBM214527
O=C(c1ccc(Cl)cn1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1
|
C25H24ClFN6O3 510.957000 |
ZGLWVTWINAXMOU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214527; PubChem:CID69319407
|
Local ready
Direct docking supported
|
|
E3L009420
BDB009420
|
BDBM214528
CC(C)n1nnc2cc(C(=O)N3CCN(C(=O)c4cc(Cc5n[nH]c(=O)c6c5NCCC6)ccc4F)CC3)ccc21
|
C29H31FN8O3 558.618000 |
FKYIFOBGCIUXID-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214528; PubChem:CID69321440
|
Local ready
Direct docking supported
|