| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058141
BDB058141
|
BDBM50503750
CC1(C)CC(NC(=O)c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccc(C(=O)Nc5ccc(Cl)cc5)cc4)n3)cc2)CC(C)(C)N1O
|
C33H35ClN8O5 659.147000 |
DZNYEACQQUFYOH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50503750; PubChem:CID172038953
|
Local ready
Direct docking supported
|
|
E3L058142
BDB058142
|
Parp10-IN-22
Cc1c(-c2ccnc(C(F)(F)F)c2)ccc2c1CCNC2=O
|
C16H13F3N2O 306.287000 |
ORKVHLCVQDSOAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50503853; PubChem:CID141639950
|
Local ready
Direct docking supported
|
|
E3L058143
BDB058143
|
BDBM50504159
CC1(C2CC2)NC(=O)N(CC(=O)Nc2ccc(Br)c(S(=O)(=O)N3CCCCC3)c2)C1=O
|
C20H25BrN4O5S 513.414000 |
CDJMQOCUCVPNIU-UHFFFAOYSA-N | Q12830, Q92793 | CREB-binding protein, Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50504159; PubChem:CID139030526
|
Local ready
Direct docking supported
|
|
E3L058144
BDB058144
|
Bromosporine
CCOC(=O)Nc1cc(-c2ccc(C)c(NS(C)(=O)=O)c2)nn2c(C)nnc12
|
C17H20N6O4S 404.452000 |
UYBRROMMFMPJAN-UHFFFAOYSA-N | O15164, Q12830, Q92793, Q92831 | CREB-binding protein, Nucleosome-remodeling factor subunit BPTF, Histone acetyltransferase KAT2B, Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50504160; PubChem:CID72943187
|
Local ready
Direct docking supported
|
|
E3L058145
BDB058145
|
BDBM50504368
CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\OCC1(C)COC1
|
C27H43NO4 445.644000 |
MKKNODUCOLIUJT-DPZKWCDVSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50504368; PubChem:CID155511394
|
Local ready
Direct docking supported
|
|
E3L058146
BDB058146
|
BDBM50504369
CCOC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3CC[C@@]4(C)C[C@]3(CC[C@@H]21)C/C4=N\OCc1ccsc1
|
C27H39NO3S 457.680000 |
BYWYOMPEDCPVLV-UZDFUANBSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50504369; PubChem:CID155513907
|
Local ready
Direct docking supported
|
|
E3L058147
BDB058147
|
BDBM50505286
C=N[C@@H](CC)C(=O)N[C@H]1/C=C\CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C29H34N4O3 486.616000 |
DOJSRSYBMNHTER-ZBZWLZTJSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50505286; PubChem:CID49866703
|
Local ready
Direct docking supported
|
|
E3L058148
BDB058148
|
BDBM50505324
Cc1cccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12
|
C18H18N2O2 294.354000 |
GWBSSUZALYDTAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505324; PubChem:CID136236997
|
Local ready
Direct docking supported
|
|
E3L058149
BDB058149
|
BDBM50505325
Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCN(C)CC4)cc3)nc12
|
C21H22FN3O 351.425000 |
XTEDLLOZIRDMGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505325; PubChem:CID136947736
|
Local ready
Direct docking supported
|
|
E3L058150
BDB058150
|
BDBM50505326
COc1cccc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12
|
C18H18N2O3 310.353000 |
NGWLKFVMSQZGRO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505326; PubChem:CID136947751
|
Local ready
Direct docking supported
|
|
E3L058151
BDB058151
|
2-(4-tert-butyl-phenyl)-6-fluoro-3H-quinazolin-4-one
CC(C)(C)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)cc1
|
C18H17FN2O 296.345000 |
YWNDUCFQXOXSHW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505327; PubChem:CID136236979
|
Local ready
Direct docking supported
|
|
E3L058152
BDB058152
|
BDBM50505328
CC(C)(O)c1ccc(-c2nc3ccc(F)cc3c(=O)[nH]2)nc1
|
C16H14FN3O2 299.305000 |
QFWFAXXCERFDCB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505328; PubChem:CID136236983
|
Local ready
Direct docking supported
|
|
E3L058153
BDB058153
|
BDBM50505329
CC(C)(O)c1ccc(-c2nc3cccc(F)c3c(=O)[nH]2)cc1
|
C17H15FN2O2 298.317000 |
LANJYZWTSUUASB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505329; PubChem:CID136236974
|
Local ready
Direct docking supported
|
|
E3L058154
BDB058154
|
BDBM50505330
CC(C)(O)c1ccc(-c2nc3c(F)ccc(F)c3c(=O)[nH]2)cc1
|
C17H14F2N2O2 316.307000 |
ZEQVKZNUMQSOLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505330; PubChem:CID136237000
|
Local ready
Direct docking supported
|
|
E3L058155
BDB058155
|
BDBM50505331
Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)O)cc3)nc12
|
C18H17FN2O2 312.344000 |
KCCHUDANIWRWFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505331; PubChem:CID136236998
|
Local ready
Direct docking supported
|
|
E3L058156
BDB058156
|
BDBM50505332
Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C4CCNCC4)cc3)nc12
|
C20H20FN3O 337.398000 |
NRGTYYQXOBIJNO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505332; PubChem:CID136237009
|
Local ready
Direct docking supported
|
|
E3L058157
BDB058157
|
Tankyrase-IN-2
CC(C)(O)c1ccc(-c2nc3c(F)cc(F)cc3c(=O)[nH]2)cc1
|
C17H14F2N2O2 316.307000 |
FHBYLOWAINBPRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505333; PubChem:CID136236981
|
Local ready
Direct docking supported
|
|
E3L058158
BDB058158
|
BDBM50505334
Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(C(C)(C)OCCO)cc3)nc12
|
C20H21FN2O3 356.397000 |
IFGZJOCKQVPMQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505334; PubChem:CID136236994
|
Local ready
Direct docking supported
|
|
E3L058159
BDB058159
|
BDBM50505335
Cc1cc(F)cc2c(=O)[nH]c(-c3ccc(N4CCN(C)CC4)cc3)nc12
|
C20H21FN4O 352.413000 |
PPGDXAFAEKIBAL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505335; PubChem:CID136237004
|
Local ready
Direct docking supported
|
|
E3L058160
BDB058160
|
BDBM50505336
CN1CCC(c2ccc(-c3nc4c(F)cc(F)cc4c(=O)[nH]3)cc2)CC1
|
C20H19F2N3O 355.388000 |
GPNUQNSOOWDVCV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50505336; PubChem:CID136258723
|
Local ready
Direct docking supported
|