| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053201
BDB053201
|
BDBM50341239
C[C@@H]1CC[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1
|
C24H26N8O 442.527000 |
TXXYVBLFLGPQOR-ZBFHGGJFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341239; PubChem:CID50909915
|
Local ready
Direct docking supported
|
|
E3L053202
BDB053202
|
BDBM50341240
C[C@H]1CC[C@@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C24H26N8O 442.527000 |
TXXYVBLFLGPQOR-GOEBONIOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341240; PubChem:CID51354901
|
Local ready
Direct docking supported
|
|
E3L053203
BDB053203
|
BDBM50341241
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)Nc3ccccc3)CC[C@H]2C)n1
|
C25H28N8O 456.554000 |
FBHNLBFMQWTPTN-WBVHZDCISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341241; PubChem:CID46215816
|
Local ready
Direct docking supported
|
|
E3L053204
BDB053204
|
BDBM50341242
C[C@@H]1CC[C@H](C(=O)NC2CCCCC2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C24H32N8O 448.575000 |
JOAWBRMGMMCJGS-ZBFHGGJFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341242; PubChem:CID51357954
|
Local ready
Direct docking supported
|
|
E3L053205
BDB053205
|
Gsk-2334470
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC[C@H]2C)n1
|
C25H34N8O 462.602000 |
QLPHOXTXAKOFMU-WBVHZDCISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341243; PubChem:CID46215815
|
Local ready
Direct docking supported
|
|
E3L053206
BDB053206
|
BDBM50341244
C[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(N)n1
|
C23H24N8O2 444.499000 |
JTGMDPHLGBACAV-YJYMSZOUSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341244; PubChem:CID46216155
|
Local ready
Direct docking supported
|
|
E3L053207
BDB053207
|
BDBM50341245
CC[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(NC)n1
|
C25H28N8O2 472.553000 |
QLCDVXBLLOIZEO-UTKZUKDTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341245; PubChem:CID51354035
|
Local ready
Direct docking supported
|
|
E3L053208
BDB053208
|
BDBM50341246
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@@H](C(=O)NC3CCCCC3)OC[C@H]2C)n1
|
C24H32N8O2 464.574000 |
ANERBUIPYRATIP-VLIAUNLRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341246; PubChem:CID51354036
|
Local ready
Direct docking supported
|
|
E3L053209
BDB053209
|
BDBM50341247
CC[C@@H]1CO[C@H](C(=O)NC2CCCCC2)CN1c1cc(-c2ccc3c(N)n[nH]c3c2)nc(NC)n1
|
C25H34N8O2 478.601000 |
XXCHHDLPUJYVJU-UTKZUKDTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341247; PubChem:CID51354037
|
Local ready
Direct docking supported
|
|
E3L053210
BDB053210
|
BDBM50341248
C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN(c2cc(-c3ccc4c(N)[nH]nc4c3)nc(N)n2)C1
|
C22H30N8O2 438.536000 |
YEIVLMDWYXFKHN-TZMCWYRMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341248; PubChem:CID50909917
|
Local ready
Direct docking supported
|
|
E3L053211
BDB053211
|
BDBM50341249
CNc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2C[C@H](C)C[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1
|
C24H34N8O2 466.590000 |
FGVBXWYMYMNXGE-GDBMZVCRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341249; PubChem:CID54581311
|
Local ready
Direct docking supported
|
|
E3L053212
BDB053212
|
BDBM50341250
C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)C)CN(c2cc(-c3ccc4c(N)n[nH]c4c3)nc(N)n2)C1
|
C24H34N8O 450.591000 |
PCTRICLZSMFSET-GDBMZVCRSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341250; PubChem:CID51354613
|
Local ready
Direct docking supported
|
|
E3L053213
BDB053213
|
BDBM50341519
CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCC[C@H]4CN4CCCC4)cc3)c2)n1
|
C26H31N7O2 473.581000 |
CMOPUHDFFUAOMA-NRFANRHFSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341519; PubChem:CID52936621
|
Local ready
Direct docking supported
|
|
E3L053214
BDB053214
|
BDBM50341520
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(N2CCCCC2)cc1
|
C22H22N4O2 374.444000 |
ABBVAIMDGQMDHS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341520; PubChem:CID52936434
|
Local ready
Direct docking supported
|
|
E3L053215
BDB053215
|
N-(6-Oxo-1,6-Dihydro-3,4'-Bipyridin-5-Yl)benzamide
O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccccc1
|
C17H13N3O2 291.310000 |
KASWEFFYPLWMCM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50341532; PubChem:CID11623444
|
Local ready
Direct docking supported
|
|
E3L053216
BDB053216
|
BDBM50341828
O=C(c1cncc(Br)c1)N1CCC(N2CCCC2)CC1
|
C15H20BrN3O 338.249000 |
CQERVFFAOOUFEQ-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50341828; PubChem:CID46931242
|
Local ready
Direct docking supported
|
|
E3L053217
BDB053217
|
5-(Carboxymethylamino)isoquinolin-1-one
O=C(O)CNc1cccc2c(=O)[nH]ccc12
|
C11H10N2O3 218.212000 |
SHGMQGZIMSVKLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50341856; PubChem:CID52936676
|
Local ready
Direct docking supported
|
|
E3L053218
BDB053218
|
5-Amino-2-(2-carboxyethyl)isoquinolin-1-one
Nc1cccc2c(=O)n(CCC(=O)O)ccc12
|
C12H12N2O3 232.239000 |
JHWNRHGRBQEXKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50341857; PubChem:CID52936778
|
Local ready
Direct docking supported
|
|
E3L053219
BDB053219
|
FR-261529
NC(=O)c1cccc2nc(-c3ccc(Cl)cc3)cnc12
|
C15H10ClN3O 283.718000 |
UDJDYJOTQNZIBF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50341859; PubChem:CID9993998
|
Local ready
Direct docking supported
|
|
E3L053220
BDB053220
|
BDBM50341860
O=c1[nH]c(CCCCN2CC=C(c3ccc(F)cc3)CC2)nc2c(Cl)cccc12
|
C23H23ClFN3O 411.908000 |
IBIQKJHXTSLLBQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50341860; PubChem:CID136000589
|
Local ready
Direct docking supported
|