| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052301
BDB052301
|
BDBM50316239
CN(C)CCN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C20H25N5O 351.454000 |
FKWINWUGGMXISB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316239; PubChem:CID44549774
|
Local ready
Direct docking supported
|
|
E3L052302
BDB052302
|
BDBM50316240
CN1CCN(Cc2ccc(-n3cc4cccc(C(N)=O)c4n3)cc2)CC1
|
C20H23N5O 349.438000 |
KBEFMADEMWRMCL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316240; PubChem:CID44549651
|
Local ready
Direct docking supported
|
|
E3L052303
BDB052303
|
BDBM50316241
NC(=O)c1cccc2cn(-c3ccc(CN4CCOCC4)cc3)nc12
|
C19H20N4O2 336.395000 |
FLDYSEFVOOCCPC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316241; PubChem:CID44549650
|
Local ready
Direct docking supported
|
|
E3L052304
BDB052304
|
BDBM50316242
NC(=O)c1cccc2cn(-c3ccc(CN4CCCCC4)cc3)nc12
|
C20H22N4O 334.423000 |
PSBQYDNLNHNFAH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316242; PubChem:CID44549649
|
Local ready
Direct docking supported
|
|
E3L052305
BDB052305
|
BDBM50316243
NC(=O)c1cccc2cn(-c3ccc(CN4CCCC4)cc3)nc12
|
C19H20N4O 320.396000 |
JBNCIIQHUOMGMC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316243; PubChem:CID44549648
|
Local ready
Direct docking supported
|
|
E3L052306
BDB052306
|
BDBM50316244
CN(C)Cc1ccc(-n2cc3cccc(C(N)=O)c3n2)cc1
|
C17H18N4O 294.358000 |
HPJWGBHPCIQMHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316244; PubChem:CID44549647
|
Local ready
Direct docking supported
|
|
E3L052307
BDB052307
|
2-Phenyl[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
NC(=O)c1cccn2nc(-c3ccccc3)nc12
|
C13H10N4O 238.250000 |
VREJRPTXOBWJPW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316245; PubChem:CID44549510
|
Local ready
Direct docking supported
|
|
E3L052308
BDB052308
|
2-Phenylpyrazolo-[1,5-a]pyridine-7-carboxamide
NC(=O)c1cccc2cc(C3CCCCC3)nn12
|
C14H17N3O 243.310000 |
YQKBVCBRJDUULG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316246; PubChem:CID49799912
|
Local ready
Direct docking supported
|
|
E3L052309
BDB052309
|
2-phenyl-2H-benzo[d][1,2,3]triazole-4-carboxamide
NC(=O)c1cccc2nn(-c3ccccc3)nc12
|
C13H10N4O 238.250000 |
LALFCNWFYNSGHS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316247; PubChem:CID44549505
|
Local ready
Direct docking supported
|
|
E3L052310
BDB052310
|
2-(4-Chlorophenyl)-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(-c3ccc(Cl)cc3)nc12
|
C14H10ClN3O 271.707000 |
ZUUTWXXAMVQOFT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316248; PubChem:CID44549375
|
Local ready
Direct docking supported
|
|
E3L052311
BDB052311
|
2-(3-Chlorophenyl)-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(-c3cccc(Cl)c3)nc12
|
C14H10ClN3O 271.707000 |
HWNODZACISEDHJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316249; PubChem:CID44549374
|
Local ready
Direct docking supported
|
|
E3L052312
BDB052312
|
2-(2-Chlorophenyl)-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(-c3ccccc3Cl)nc12
|
C14H10ClN3O 271.707000 |
CYJGVBUKZAGGCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316250; PubChem:CID44549373
|
Local ready
Direct docking supported
|
|
E3L052313
BDB052313
|
2-Benzyl-2H-indazole-7-carboxamide
NC(=O)c1cccc2cn(Cc3ccccc3)nc12
|
C15H13N3O 251.289000 |
FCHCPSCDAOGWGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50316251; PubChem:CID44549372
|
Local ready
Direct docking supported
|
|
E3L052314
BDB052314
|
BDBM50316470
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)cc1
|
C30H33N7O 507.642000 |
NSQXHPWPAPWSLN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316470; PubChem:CID24815964
|
Local ready
Direct docking supported
|
|
E3L052315
BDB052315
|
BDBM50316471
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)cc1
|
C30H33N7O 507.642000 |
DODANUINFWAAIF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316471; PubChem:CID24816055
|
Local ready
Direct docking supported
|
|
E3L052316
BDB052316
|
BDBM50316472
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C30H33N7O 507.642000 |
ONTKIUFMGHVNJP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316472; PubChem:CID24815966
|
Local ready
Direct docking supported
|
|
E3L052317
BDB052317
|
BDBM50316473
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4cccc(CN5CCCC5)c4)cc23)cc1
|
C32H35N7O 533.680000 |
VTKXOUFYFLRSDX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316473; PubChem:CID46888746
|
Local ready
Direct docking supported
|
|
E3L052318
BDB052318
|
BDBM50316474
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN5CCCC5)c4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C32H35N7O 533.680000 |
XBPYCPJZSVLGEO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316474; PubChem:CID46888747
|
Local ready
Direct docking supported
|
|
E3L052319
BDB052319
|
BDBM50316475
CCNC(=O)Nc1ccc(-c2nn(CC)cc2-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)cc1
|
C32H35N7O 533.680000 |
DHBOCWJFJJEPCN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316475; PubChem:CID46888771
|
Local ready
Direct docking supported
|
|
E3L052320
BDB052320
|
BDBM50316476
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCCC5)cc4)cc23)c(-c2ccc(NC(=O)N(C)C)cc2)n1
|
C32H35N7O 533.680000 |
YXVZSMQKDLURNT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316476; PubChem:CID24816056
|
Local ready
Direct docking supported
|