| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L031501
BDB031501
|
BDBM628833
Cn1cc(C(C)(O)c2cc(F)c3c(c2)C(=O)N(Cc2ccc(C#N)cn2)C3(O[C@H]2C[C@@H](O)C2)c2ccc(Cl)cc2)cn1
|
C31H27ClFN5O4 588.039000 |
PLLUZPZNYWOMRY-YERGFUTFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM628833
|
Local ready
Direct docking supported
|
|
E3L031502
BDB031502
|
BDBM630893
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
RAFFPMUHRKUXIM-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630893; PubChem:CID168188456
|
Local ready
Direct docking supported
|
|
E3L031503
BDB031503
|
BDBM630895
CNC(=O)c1ccc(O[C@@H]2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cn1
|
C23H25N5O3 419.485000 |
IOJMAKPLFDPDIB-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630895; PubChem:CID168188394
|
Local ready
Direct docking supported
|
|
E3L031504
BDB031504
|
BDBM630896
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC5CC5)nc4)C3)cc2[nH]c1=O
|
C24H27N5O3 433.512000 |
WMSTYFXWBPMODU-LJQANCHMSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630896; PubChem:CID168188285
|
Local ready
Direct docking supported
|
|
E3L031505
BDB031505
|
BDBM630897
Cc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC5CC5)nc4)C3)cc2[nH]c1=O
|
C23H25N5O3 419.485000 |
MJVMEXQFQKSIOK-GOSISDBHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630897; PubChem:CID168188316
|
Local ready
Direct docking supported
|
|
E3L031506
BDB031506
|
BDBM630899
Cc1cc2ncc(CN3CC[C@H](Oc4ccc(C(=O)NCC(F)F)nc4)C3)cc2[nH]c1=O
|
C22H23F2N5O3 443.454000 |
NXMBYCZZQCSVJW-INIZCTEOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630899; PubChem:CID169985030
|
Local ready
Direct docking supported
|
|
E3L031507
BDB031507
|
BDBM630901
CCc1cc2ncc(CN3CC[C@@](C)(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
YAZUPJHTRARIAT-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630901; PubChem:CID168188449
|
Local ready
Direct docking supported
|
|
E3L031508
BDB031508
|
BDBM630905
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@H]3C)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
BDBOHCMJADTSPO-XCLFUZPHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630905; PubChem:CID168188414
|
Local ready
Direct docking supported
|
|
E3L031509
BDB031509
|
BDBM630907
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)[C@@H]3C)cc2[nH]c1=O
|
C22H25N5O3 407.474000 |
BDBOHCMJADTSPO-RBZFPXEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630907; PubChem:CID168188265
|
Local ready
Direct docking supported
|
|
E3L031510
BDB031510
|
US11802128, Example 21
CCC1=CC2N=CC(CN3CC(Oc4ccc(C(=O)NC5CC5)nc4)C3)=CC2NC1=O
|
C23H27N5O3 421.501000 |
IFMSGFDJDBIULP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630909; PubChem:CID169490222
|
Local ready
Direct docking supported
|
|
E3L031511
BDB031511
|
BDBM630910
CCc1cc2ncc(CN3CC(Oc4ccc(C#N)cc4)C3)cc2[nH]c1=O
|
C21H20N4O2 360.417000 |
FDBKLFIWSHFCQC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630910; PubChem:CID168188402
|
Local ready
Direct docking supported
|
|
E3L031512
BDB031512
|
BDBM630911
N#Cc1ccc(NC2CN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cn1
|
C21H20N6O 372.432000 |
HLZVHZYNRCOAGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630911; PubChem:CID169985116
|
Local ready
Direct docking supported
|
|
E3L031513
BDB031513
|
BDBM630912
CCc1cc2ncc(CN3CC(Oc4ccc(C#N)nc4)C3)cc2[nH]c1=O
|
C20H19N5O2 361.405000 |
MSFJWKGTOCVZBU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630912; PubChem:CID168188274
|
Local ready
Direct docking supported
|
|
E3L031514
BDB031514
|
BDBM630913
CNC(=O)c1ncc(O[C@@H]2CCN(Cc3cnc4cc(C5CC5)c(=O)[nH]c4c3)C2)cc1F
|
C23H24FN5O3 437.475000 |
UNOZUZWQOUJKCT-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630913; PubChem:CID168188268
|
Local ready
Direct docking supported
|
|
E3L031515
BDB031515
|
BDBM630915
Cc1cc2ncc(CN3CC[C@@H](Oc4cnc(C(=O)NC5CC5)c(F)c4)C3)cc2[nH]c1=O
|
C23H24FN5O3 437.475000 |
NINREVLCYITKQO-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630915; PubChem:CID168757298
|
Local ready
Direct docking supported
|
|
E3L031516
BDB031516
|
BDBM630917
CCc1cc2ncc(CN3CC[C@@H](Oc4cnc(C(=O)NC)c(F)c4)C3)cc2[nH]c1=O
|
C22H24FN5O3 425.464000 |
QNTSKNZBMFRCFU-OAHLLOKOSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630917; PubChem:CID168188403
|
Local ready
Direct docking supported
|
|
E3L031517
BDB031517
|
BDBM630921
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C(=O)NC)nc4C#N)C3)cc2[nH]c1=O
|
C23H24N6O3 432.484000 |
GHWGTYBGKQGFGJ-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630921; PubChem:CID168757333
|
Local ready
Direct docking supported
|
|
E3L031518
BDB031518
|
BDBM630928
CCc1cc2ncc(CN3CC[C@@H](Oc4ccc(C#N)cn4)C3)cc2[nH]c1=O
|
C21H21N5O2 375.432000 |
OWXULSDHMARSFE-QGZVFWFLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630928; PubChem:CID168757339
|
Local ready
Direct docking supported
|
|
E3L031519
BDB031519
|
BDBM630930
CCc1nc2cc(F)c(CN3CC(Oc4ccc(C(=O)NC)nc4)C3)cc2[nH]c1=O
|
C21H22FN5O3 411.437000 |
KMZZAOIFYXUJOB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630930; PubChem:CID168188473
|
Local ready
Direct docking supported
|
|
E3L031520
BDB031520
|
BDBM630948
CCc1cc2ncc(CN3C[C@H](Oc4ccc(C(=O)NC)nc4)C[C@H]3C)cc2[nH]c1=O
|
C23H27N5O3 421.501000 |
YDGMNELRYZIMAC-RDTXWAMCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM630948; PubChem:CID168757346
|
Local ready
Direct docking supported
|