| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031381
BDB031381
|
BDBM628448
O=C(NC1CC1)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)c(F)n1
|
C25H25F2N5O3 481.503000 |
CNUNWROOUGSSPD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628448; PubChem:CID169302775
|
Local ready
Direct docking supported
|
|
E3L031382
BDB031382
|
BDBM628449
COCCNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cc(C)nn54)c3F)CC2)c(F)n1
|
C25H27F2N7O3 511.533000 |
FDLJUNIACZSCRA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628449; PubChem:CID169302793
|
Local ready
Direct docking supported
|
|
E3L031383
BDB031383
|
BDBM628451
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cnn(C)c54)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
WMCXYGMSZGSRSX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628451; PubChem:CID169266058
|
Local ready
Direct docking supported
|
|
E3L031384
BDB031384
|
BDBM628452
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cn(C)nc54)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
DMCFXPWFPIARHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628452; PubChem:CID169302813
|
Local ready
Direct docking supported
|
|
E3L031385
BDB031385
|
BDBM628453
Cc1cc2c(=O)[nH]c3c(F)c(CN4CCN(c5ccc(C(=O)NC6COC6)nc5F)CC4)ccc3n2n1
|
C25H25F2N7O3 509.517000 |
VIXQNDCTGVZIBY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628453; PubChem:CID169302818
|
Local ready
Direct docking supported
|
|
E3L031386
BDB031386
|
BDBM628455
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(C)cnn54)c3F)CC2)c(F)n1
|
C23H23F2N7O2 467.480000 |
VOXDXGKKLKJKPE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628455; PubChem:CID169302760
|
Local ready
Direct docking supported
|
|
E3L031387
BDB031387
|
BDBM628457
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5cc(F)nn54)c3F)CC2)c(F)n1
|
C22H20F3N7O2 471.443000 |
UJEBNVGXCPGTSD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628457; PubChem:CID169302811
|
Local ready
Direct docking supported
|
|
E3L031388
BDB031388
|
BDBM628458
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)cn1
|
C23H24FN5O3 437.475000 |
UONZOBZSQBYRIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628458; PubChem:CID169302782
|
Local ready
Direct docking supported
|
|
E3L031389
BDB031389
|
BDBM628459
CNC(=O)c1nc(C)c(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)cc1F
|
C24H25F2N5O3 469.492000 |
FZTJJDIFJNMSTD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628459; PubChem:CID169302786
|
Local ready
Direct docking supported
|
|
E3L031390
BDB031390
|
BDBM628460
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5c(F)cnn54)c3F)CC2)c(F)n1
|
C22H20F3N7O2 471.443000 |
PMIVWECZXHTRTB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628460; PubChem:CID169302792
|
Local ready
Direct docking supported
|
|
E3L031391
BDB031391
|
BDBM628461
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCO5)CC2)c(C)n1
|
C24H26FN5O3 451.502000 |
LPVVVEXJDPQYDO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628461; PubChem:CID169302777
|
Local ready
Direct docking supported
|
|
E3L031392
BDB031392
|
US20250215013, Example 44
CNC(=O)c1ccc(N2CCN(Cc3ccc4c([nH]c(=O)c5ccoc54)c3F)CC2)c(F)n1
|
C23H21F2N5O3 453.449000 |
IXGZNTGACBFAFA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628462; PubChem:CID169302803
|
Local ready
Direct docking supported
|
|
E3L031393
BDB031393
|
BDBM628467
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(C)n1
|
C24H27N5O3 433.512000 |
NHPQRZAGGNPICW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628467; PubChem:CID169302763
|
Local ready
Direct docking supported
|
|
E3L031394
BDB031394
|
BDBM628468
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3)CCO5)CC2)c(Cl)n1
|
C23H24ClN5O3 453.930000 |
GMZOBKRTNVOMBN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628468; PubChem:CID169302749
|
Local ready
Direct docking supported
|
|
E3L031395
BDB031395
|
BDBM628469
CNC(=O)c1ccc(N2CCN(Cc3cc(F)c4c5c(c(=O)[nH]c4c3)COC5)CC2)c(F)n1
|
C23H23F2N5O3 455.465000 |
OBJSKDSGSDZNFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628469; PubChem:CID169302816
|
Local ready
Direct docking supported
|
|
E3L031396
BDB031396
|
BDBM628470
CNC(=O)c1ccc(N2CCN(Cc3ccc4c5c(c(=O)[nH]c4c3F)CCC5)CC2)c(F)n1
|
C24H25F2N5O2 453.493000 |
JDACCOZWGFBPHL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM628470; PubChem:CID168982748
|
Local ready
Direct docking supported
|
|
E3L031397
BDB031397
|
US10544132, Example 6
C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(C(C)(C)O)ccc2[C@]1(OCC(C)(O)CO)c1ccc(Cl)cc1
|
C29H31Cl2NO5 544.475000 |
UUZINBSIYDKSFT-PDIMESBLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM628476; PubChem:CID135281509
|
Local ready
Direct docking supported
|
|
E3L031398
BDB031398
|
US20230338337, Example 24
CC1CC1(O)[C@@]1(c2ccc(Cl)cc2)c2c(F)cc(C(C)(C)O)cc2C(=O)N1Cc1ccc(C#N)cc1
|
C29H26ClFN2O3 504.989000 |
OSKAYFGMQNOSFH-YWYJHBEMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM628501; PubChem:CID172636746
|
Local ready
Direct docking supported
|
|
E3L031399
BDB031399
|
US20230338337, Example 36
CC1CC1(O)[C@@]1(c2ccc(Cl)cc2)c2ccc(C(C)(C)O)cc2C(=O)N1Cc1ccc(Cl)cc1S(C)(=O)=O
|
C29H29Cl2NO5S 574.526000 |
CAFDLQJHZSTDLQ-YWYJHBEMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM628563; PubChem:CID172636747
|
Local ready
Direct docking supported
|
|
E3L031400
BDB031400
|
US20230338337, Example 45
C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(C(C)(C)O)ccc2[C@]1(O[C@H]1COC[C@H]1O)c1ccc(Cl)cc1
|
C29H29Cl2NO5 542.459000 |
JLJRDOGQKDSPHW-QOSCSMRQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM628570; PubChem:CID135281439
|
Local ready
Direct docking supported
|