| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031521
BDB031521
|
BDBM630949
CCc1nc2cc(F)c(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
BLMWDXCRLPOVQG-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630949; PubChem:CID168188278
|
Local ready
Direct docking supported
|
|
E3L031522
BDB031522
|
BDBM630950
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC5COC5)nc4)C3)cc2[nH]c1=O
|
C24H27N5O4 449.511000 |
AKFGVPBGULCNJQ-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630950; PubChem:CID168188358
|
Local ready
Direct docking supported
|
|
E3L031523
BDB031523
|
BDBM630951
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C#N)cn4)[C@H]3C)cc2[nH]c1=O
|
C21H21N5O2 375.432000 |
GOXWPBYLZIPEKY-YJYMSZOUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630951; PubChem:CID168188348
|
Local ready
Direct docking supported
|
|
E3L031524
BDB031524
|
BDBM630952
CNC(=O)c1ccc(O[C@@H]2CCN(Cc3cnc4c(c3)[nH]c(=O)c3ccoc34)C2)cn1
|
C22H21N5O4 419.441000 |
BNLCADXSHIVYSV-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630952; PubChem:CID168188223
|
Local ready
Direct docking supported
|
|
E3L031525
BDB031525
|
BDBM630962
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C#N)nc4)[C@H]3C)cc2[nH]c1=O
|
C21H21N5O2 375.432000 |
KZMWTTNUNJYKEW-XCLFUZPHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630962; PubChem:CID168188241
|
Local ready
Direct docking supported
|
|
E3L031526
BDB031526
|
BDBM630964
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C#N)nc4)[C@H]3C)cc2[nH]c1=O
|
C20H19N5O2 361.405000 |
OEHWWTFDSSHYER-YJYMSZOUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630964; PubChem:CID169882936
|
Local ready
Direct docking supported
|
|
E3L031527
BDB031527
|
BDBM630965
CCc1cc2ncc(CN3C[C@H](Oc4cnc(C(=O)NC)c(F)c4)[C@H]3C)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
IAMDLNLISLNERU-BLVKFPJESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630965; PubChem:CID168757300
|
Local ready
Direct docking supported
|
|
E3L031528
BDB031528
|
BDBM630968
CCc1cc2ncc(CN3CC(n4ccc5nc(C(=O)NC)ccc54)C3)cc2[nH]c1=O
|
C23H24N6O2 416.485000 |
RUZPQYYLATWSCW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630968; PubChem:CID168188269
|
Local ready
Direct docking supported
|
|
E3L031529
BDB031529
|
BDBM630974
CNC(=O)c1ccc(O[C@H]2CN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)[C@@H]2C)cn1
|
C23H25N5O3 419.485000 |
XELVBFDGTPEGPI-ASSNKEHSSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630974; PubChem:CID168757324
|
Local ready
Direct docking supported
|
|
E3L031530
BDB031530
|
BDBM630976
C[C@@H]1[C@@H](Oc2ccc(C(=O)NC3CC3)nc2)CN1Cc1cnc2cc(C3CC3)c(=O)[nH]c2c1
|
C25H27N5O3 445.523000 |
VWMOSAGSDJKEQX-FATZIPQQSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630976; PubChem:CID168757301
|
Local ready
Direct docking supported
|
|
E3L031531
BDB031531
|
BDBM630978
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC5CC5)nc4)[C@H]3C)cc2[nH]c1=O
|
C24H27N5O3 433.512000 |
NGVRLMWNSMDOCY-PEBXRYMYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630978; PubChem:CID168188250
|
Local ready
Direct docking supported
|
|
E3L031532
BDB031532
|
BDBM630979
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC5COC5)nc4)[C@H]3C)cc2[nH]c1=O
|
C24H27N5O4 449.511000 |
XQTSRBCGRZOIGQ-PEBXRYMYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630979; PubChem:CID168188262
|
Local ready
Direct docking supported
|
|
E3L031533
BDB031533
|
US11802128, Example 46
CCc1cn2nc(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@H]3C)cc2[nH]c1=O
|
C20H24N6O3 396.451000 |
MPECKIKPHYUJPP-PXAZEXFGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630981; PubChem:CID169490246
|
Local ready
Direct docking supported
|
|
E3L031534
BDB031534
|
BDBM630983
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C#N)cc4)[C@H]3C)cc2[nH]c1=O
|
C21H20N4O2 360.417000 |
YDNWRACJRSUVHS-VLIAUNLRSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630983; PubChem:CID168757305
|
Local ready
Direct docking supported
|
|
E3L031535
BDB031535
|
BDBM630985
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C#N)cc4)[C@H]3C)cc2[nH]c1=O
|
C22H22N4O2 374.444000 |
JLIXTXAKWINIEG-SZNDQCEHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630985; PubChem:CID168757350
|
Local ready
Direct docking supported
|
|
E3L031536
BDB031536
|
BDBM630990
CCc1cc2ncc(CN3CC[C@@H](n4ccc5nc(C(=O)NC)ccc54)C3)cc2[nH]c1=O
|
C24H26N6O2 430.512000 |
IIELAGZADZKEQM-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630990; PubChem:CID168188450
|
Local ready
Direct docking supported
|
|
E3L031537
BDB031537
|
BDBM630992
CNC(=O)c1ccc(O[C@H]2CN(Cc3cnc4cc(C)c(=O)[nH]c4c3)[C@@H]2C)cn1
|
C21H23N5O3 393.447000 |
XBKNYKZGKYPLAX-YJYMSZOUSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630992; PubChem:CID168757345
|
Local ready
Direct docking supported
|
|
E3L031538
BDB031538
|
BDBM631006
CCc1cc2ncc(CN3C[C@H](Oc4ccc(F)cc4)[C@H]3C)cc2[nH]c1=O
|
C21H22FN3O2 367.424000 |
UYLGYDFPJNGIMZ-XCLFUZPHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631006; PubChem:CID168757341
|
Local ready
Direct docking supported
|
|
E3L031539
BDB031539
|
BDBM631008
CNC(=O)c1ncc(O[C@H]2CN(Cc3cnc4cc(C)c(=O)[nH]c4c3)[C@@H]2C)cc1F
|
C21H22FN5O3 411.437000 |
UYWNPKIBXMOYHC-XIKOKIGWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631008; PubChem:CID168757326
|
Local ready
Direct docking supported
|
|
E3L031540
BDB031540
|
BDBM631010
Cc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC5CC5)nc4)[C@H]3C)cc2[nH]c1=O
|
C23H25N5O3 419.485000 |
MXFKCARTQCICCF-SZNDQCEHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM631010; PubChem:CID168757285
|
Local ready
Direct docking supported
|