| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L064201
BDB064201
|
BDBM50629820
C=CC(=O)Nc1cccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCOCC4)cc3n2)c1
|
C25H25N7O2 455.522000 |
UUMZRFSBASGKTH-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629820; PubChem:CID172442307
|
Local ready
Direct docking supported
|
|
E3L064202
BDB064202
|
BDBM50629821
C=CC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCOCC4)cc3n2)cc1
|
C25H25N7O2 455.522000 |
KPIURTQNXMGHHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629821; PubChem:CID172463541
|
Local ready
Direct docking supported
|
|
E3L064203
BDB064203
|
BDBM50629822
CCC(=O)Nc1ccc(-c2nc(Nc3cc(C)[nH]n3)c3ccc(N4CCN(C)CC4)cc3n2)cc1
|
C26H30N8O 470.581000 |
MUOSXFJUNLJUND-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629822; PubChem:CID172458236
|
Local ready
Direct docking supported
|
|
E3L064204
BDB064204
|
BDBM50629823
Cc1cc(Nc2nc(-c3ccc(OS(=O)(=O)F)cc3)nc3cc(N4CCN(C)CC4)ccc23)n[nH]1
|
C23H24FN7O3S 497.556000 |
QGORWMAWHZTLCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50629823; PubChem:CID172464395
|
Local ready
Direct docking supported
|
|
E3L064205
BDB064205
|
BDBM50630038
CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc(C(N)=O)cc5)c4)C3)c2)CC1
|
C30H34N6O3 526.641000 |
KDJWESNUVQMZGH-DEOSSOPVSA-N | Q96T88 | E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50630038; PubChem:CID168433096
|
Local ready
Direct docking supported
|
|
E3L064206
BDB064206
|
BDBM50630063
CN1CCN(c2ccnc(C(=O)N3CCC[C@H](C(=O)Nc4cccc(-c5ccc6c(c5)C(=O)NC6)c4)C3)c2)CC1
|
C31H34N6O3 538.652000 |
OYWGFOXQBJYTIR-DEOSSOPVSA-N | Q96T88 | E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50630063; PubChem:CID169450087
|
Local ready
Direct docking supported
|
|
E3L064207
BDB064207
|
Aplithianine A
Cn1cncc1C1=CN(c2ncnc3[nH]cnc23)CCS1
|
C13H13N7S 299.363000 |
IEDDDZFQZKDRBJ-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50630232; PubChem:CID168665407
|
Local ready
Direct docking supported
|
|
E3L064208
BDB064208
|
BDBM50630238
C[C@@H]1CN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)Cc2nnc(-c3nccs3)n21
|
C25H20FN7O2S 501.547000 |
ACJDTAHNIFCCHB-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630238; PubChem:CID172407641
|
Local ready
Direct docking supported
|
|
E3L064209
BDB064209
|
BDBM50630239
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1
|
C20H17FN4O4 396.378000 |
CEUSZBDWOAZEBV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630239; PubChem:CID172468108
|
Local ready
Direct docking supported
|
|
E3L064210
BDB064210
|
BDBM50630240
CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C21H19FN4O4 410.405000 |
NTYRAXKJQKLKLY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630240; PubChem:CID172448814
|
Local ready
Direct docking supported
|
|
E3L064211
BDB064211
|
BDBM50630241
CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C22H21FN4O4 424.432000 |
LGFTWORQFUMEPZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630241; PubChem:CID122707106
|
Local ready
Direct docking supported
|
|
E3L064212
BDB064212
|
BDBM50630242
O=C1CN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CCN1CC(F)(F)F
|
C22H18F4N4O4 478.402000 |
VXXHFHBGNMSWMO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630242; PubChem:CID172458938
|
Local ready
Direct docking supported
|
|
E3L064213
BDB064213
|
BDBM50630243
CCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H23FN4O4 438.459000 |
JJDFDZDTXGPNIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630243; PubChem:CID122707105
|
Local ready
Direct docking supported
|
|
E3L064214
BDB064214
|
BDBM50630244
CC(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C23H23FN4O4 438.459000 |
OAFQCDJUMPFXNS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630244; PubChem:CID172467653
|
Local ready
Direct docking supported
|
|
E3L064215
BDB064215
|
BDBM50630245
CCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C24H25FN4O4 452.486000 |
LRRSQDMHWPHEMQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630245; PubChem:CID172440832
|
Local ready
Direct docking supported
|
|
E3L064216
BDB064216
|
BDBM50630246
CC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C24H25FN4O4 452.486000 |
QBWWPFIBJGBBKX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630246; PubChem:CID146688721
|
Local ready
Direct docking supported
|
|
E3L064217
BDB064217
|
BDBM50630247
CCC(C)N1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C24H25FN4O4 452.486000 |
NQEBXSGIXPJSTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630247; PubChem:CID172463337
|
Local ready
Direct docking supported
|
|
E3L064218
BDB064218
|
BDBM50630248
CCCCCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
DLDYOMRJCIUSIG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630248; PubChem:CID172469120
|
Local ready
Direct docking supported
|
|
E3L064219
BDB064219
|
BDBM50630249
CC(C)CCN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
WTKBXXGVXWHMHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630249; PubChem:CID172449106
|
Local ready
Direct docking supported
|
|
E3L064220
BDB064220
|
BDBM50630250
CCC(C)CN1CCN(C(=O)c2cc(Cn3c(=O)[nH]c(=O)c4ccccc43)ccc2F)CC1=O
|
C25H27FN4O4 466.513000 |
DJSXTFVMGSHIQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50630250; PubChem:CID172447047
|
Local ready
Direct docking supported
|