| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052281
BDB052281
|
N-(6-methyl-3-styryl-1H-indazol-5-yl)-2-phenylacetamide
Cc1cc2[nH]nc(/C=C/c3ccccc3)c2cc1NC(=O)Cc1ccccc1
|
C24H21N3O 367.452000 |
VYAAXBSGJBZIIN-OUKQBFOZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315850; PubChem:CID46886305
|
Local ready
Direct docking supported
|
|
E3L052282
BDB052282
|
2-phenyl-N-(3-styryl-1H-indazol-5-yl)acetamide
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1
|
C23H19N3O 353.425000 |
ZXYXKCCIXNHDNE-ACCUITESSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315851; PubChem:CID46886304
|
Local ready
Direct docking supported
|
|
E3L052283
BDB052283
|
N-(3-phenethyl-1H-indazol-5-yl)-2-phenylacetamide
O=C(Cc1ccccc1)Nc1ccc2[nH]nc(CCc3ccccc3)c2c1
|
C23H21N3O 355.441000 |
KSKMLMUSGTXYPW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315852; PubChem:CID46886303
|
Local ready
Direct docking supported
|
|
E3L052284
BDB052284
|
BDBM50315887
C[C@]1(O)C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1
|
C26H23N5O 421.504000 |
PKCDDUHJAFVJJB-VLZXCDOPSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50315887
|
Local ready
Direct docking supported
|
|
E3L052285
BDB052285
|
BDBM50315888
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1
|
C33H29N7O2S 587.709000 |
XKZQZMSAWVDRSP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50315888; PubChem:CID46886323
|
Local ready
Direct docking supported
|
|
E3L052286
BDB052286
|
Gne-477
Cc1c(CN2CCN(S(C)(=O)=O)CC2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
|
C21H28N8O3S2 504.642000 |
AKKCGLXULFRAET-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50315907; PubChem:CID25207689
|
Local ready
Direct docking supported
|
|
E3L052287
BDB052287
|
BDBM50316225
NC(=O)c1cccc2cn(-c3ccc([C@H]4CCCNC4)cc3)nc12
|
C19H20N4O 320.396000 |
PCHKPVIQAHNQLW-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316225; PubChem:CID24958199
|
Local ready
Direct docking supported
|
|
E3L052288
BDB052288
|
Niraparib
NC(=O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
|
C19H20N4O 320.396000 |
PCHKPVIQAHNQLW-CQSZACIVSA-N | P09874, Q92630 | Poly [ADP-ribose] polymerase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50316226; PubChem:CID24958200
|
Local ready
Direct docking supported
|
|
E3L052289
BDB052289
|
2-(4-(piperidin-4-yl)phenyl)-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(-c3ccc(C4CCNCC4)cc3)nc12
|
C19H20N4O 320.396000 |
BEPRVBINFVNKHV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316227; PubChem:CID44549379
|
Local ready
Direct docking supported
|
|
E3L052290
BDB052290
|
2-(4-(pyrrolidin-2-yl)phenyl)-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(-c3ccc(C4CCCN4)cc3)nc12
|
C18H18N4O 306.369000 |
YIUJUFFZJHPDAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316228; PubChem:CID44549378
|
Local ready
Direct docking supported
|
|
E3L052291
BDB052291
|
BDBM50316229
NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12
|
C17H16N4O 292.342000 |
SBQFITDESAVZTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316229; PubChem:CID44549377
|
Local ready
Direct docking supported
|
|
E3L052292
BDB052292
|
BDBM50316230
NC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12
|
C17H16N4O 292.342000 |
MWZCHAJAHLWNHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316230; PubChem:CID44549376
|
Local ready
Direct docking supported
|
|
E3L052293
BDB052293
|
BDBM50316231
CNCc1cccc(-n2cc3cccc(C(N)=O)c3n2)c1
|
C16H16N4O 280.331000 |
PVWNZSONZKLJAY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316231; PubChem:CID44549906
|
Local ready
Direct docking supported
|
|
E3L052294
BDB052294
|
BDBM50316232
CNCCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C17H18N4O 294.358000 |
VUYQINRDXZOOKH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316232; PubChem:CID44549904
|
Local ready
Direct docking supported
|
|
E3L052295
BDB052295
|
BDBM50316233
CNC(C)(C)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C18H20N4O 308.385000 |
IXUIXFXPEZBBCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316233; PubChem:CID44549902
|
Local ready
Direct docking supported
|
|
E3L052296
BDB052296
|
BDBM50316234
CNC(C)c1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C17H18N4O 294.358000 |
PGTMEVUZFLFYQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316234; PubChem:CID44549780
|
Local ready
Direct docking supported
|
|
E3L052297
BDB052297
|
BDBM50316235
CC(C)NCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C18H20N4O 308.385000 |
NGZCRLHKURIRJC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316235; PubChem:CID44549779
|
Local ready
Direct docking supported
|
|
E3L052298
BDB052298
|
BDBM50316236
NC(=O)c1cccc2cn(-c3ccc(CNCC(F)F)cc3)nc12
|
C17H16F2N4O 330.338000 |
ZJQXJILIJAEYNO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316236; PubChem:CID44549778
|
Local ready
Direct docking supported
|
|
E3L052299
BDB052299
|
BDBM50316237
NC(=O)c1cccc2cn(-c3ccc(CNCCF)cc3)nc12
|
C17H17FN4O 312.348000 |
IEEWPQHRKIRYGC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316237; PubChem:CID44549777
|
Local ready
Direct docking supported
|
|
E3L052300
BDB052300
|
BDBM50316238
CCNCc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C17H18N4O 294.358000 |
LFRJYXYHAKNOIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316238; PubChem:CID44549776
|
Local ready
Direct docking supported
|