| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000921
BDB000921
|
BDBM27086
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CCOCC1
|
C21H27N7O3 425.493000 |
FQVJSQJPMQVZKV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27086; PubChem:CID135909515
|
Local ready
Direct docking supported
|
|
E3L000922
BDB000922
|
At-9283
O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1
|
C19H23N7O2 381.440000 |
LOLPPWBBNUVNQZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM27087; PubChem:CID135398495
|
Local ready
Direct docking supported
|
|
E3L000923
BDB000923
|
1H-Benzimidazole-4-carboxamide
NC(=O)c1cccc2nc[nH]c12
|
C8H7N3O 161.164000 |
JJDMKDXGNVJWCD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27088; PubChem:CID10130109
|
Local ready
Direct docking supported
|
|
E3L000924
BDB000924
|
BDBM27090
COC1CCC(c2nc3cccc(C(N)=O)c3[nH]2)CC1
|
C15H19N3O2 273.336000 |
GULVCWKZIMPDNV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27090; PubChem:CID10221158
|
Local ready
Direct docking supported
|
|
E3L000925
BDB000925
|
2-Phenylbenzimidazole-4-carboxamide
NC(=O)c1cccc2nc(-c3ccccc3)[nH]c12
|
C14H11N3O 237.262000 |
OBBJGEVEIULNEO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27091; PubChem:CID10823781
|
Local ready
Direct docking supported
|
|
E3L000926
BDB000926
|
2-(azetidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCN3)[nH]c12
|
C11H12N4O 216.244000 |
XZIBQAXDEUGXHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27092; PubChem:CID25190716
|
Local ready
Direct docking supported
|
|
E3L000927
BDB000927
|
2-(azetidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CNC3)[nH]c12
|
C11H12N4O 216.244000 |
ZBCWPRMBUXOZEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27093; PubChem:CID25190717
|
Local ready
Direct docking supported
|
|
E3L000928
BDB000928
|
BDBM27094
NC(=O)c1cccc2nc([C@H]3CCCN3)[nH]c12
|
C12H14N4O 230.271000 |
HTZYXVMVVCKCTD-SECBINFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27094; PubChem:CID25190718
|
Local ready
Direct docking supported
|
|
E3L000929
BDB000929
|
BDBM27095
NC(=O)c1cccc2nc([C@@H]3CCCN3)[nH]c12
|
C12H14N4O 230.271000 |
HTZYXVMVVCKCTD-VIFPVBQESA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27095; PubChem:CID25190719
|
Local ready
Direct docking supported
|
|
E3L000930
BDB000930
|
2-(pyrrolidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCNC3)[nH]c12
|
C12H14N4O 230.271000 |
ATXAINYEEUYIMJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27096; PubChem:CID18428167
|
Local ready
Direct docking supported
|
|
E3L000931
BDB000931
|
BDBM27097
NC(=O)c1cccc2nc([C@H]3CCCCN3)[nH]c12
|
C13H16N4O 244.298000 |
QRGBDUGNPYKQHW-SNVBAGLBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27097; PubChem:CID25190720
|
Local ready
Direct docking supported
|
|
E3L000932
BDB000932
|
BDBM27098
NC(=O)c1cccc2nc([C@@H]3CCCCN3)[nH]c12
|
C13H16N4O 244.298000 |
QRGBDUGNPYKQHW-JTQLQIEISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27098; PubChem:CID25190721
|
Local ready
Direct docking supported
|
|
E3L000933
BDB000933
|
2-(piperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCCNC3)[nH]c12
|
C13H16N4O 244.298000 |
JNAJEIQVMLOVDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27099; PubChem:CID9795674
|
Local ready
Direct docking supported
|
|
E3L000934
BDB000934
|
2-(piperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCNCC3)[nH]c12
|
C13H16N4O 244.298000 |
MROJQXLTTDOCPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27100; PubChem:CID9903811
|
Local ready
Direct docking supported
|
|
E3L000935
BDB000935
|
2-(azepan-4-yl)-1H-1,3-benzodiazole-4-carboxamide
NC(=O)c1cccc2nc(C3CCCNCC3)[nH]c12
|
C14H18N4O 258.325000 |
GHOYFPNFUYWZAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27101; PubChem:CID25190722
|
Local ready
Direct docking supported
|
|
E3L000936
BDB000936
|
BDBM27102
CC(C)N1CCC1c1nc2cccc(C(N)=O)c2[nH]1
|
C14H18N4O 258.325000 |
FTLYCIAYZMIELN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27102; PubChem:CID25190723
|
Local ready
Direct docking supported
|
|
E3L000937
BDB000937
|
BDBM27103
NC(=O)c1cccc2nc(C3CCN3C3CCCC3)[nH]c12
|
C16H20N4O 284.363000 |
LWTMHOZZUWPLMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27103; PubChem:CID25190724
|
Local ready
Direct docking supported
|
|
E3L000938
BDB000938
|
BDBM27104
CCCN1CC(c2nc3cccc(C(N)=O)c3[nH]2)C1
|
C14H18N4O 258.325000 |
CCQGGHBBNRXBIY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27104; PubChem:CID25190725
|
Local ready
Direct docking supported
|
|
E3L000939
BDB000939
|
BDBM27105
NC(=O)c1cccc2nc(C3CN(C4CCCC4)C3)[nH]c12
|
C16H20N4O 284.363000 |
PTDSTHHQYSGBJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27105; PubChem:CID25190726
|
Local ready
Direct docking supported
|
|
E3L000940
BDB000940
|
BDBM27106
CN1CCC[C@@H]1c1nc2cccc(C(N)=O)c2[nH]1
|
C13H16N4O 244.298000 |
CZGUWBMWWWXIOR-SNVBAGLBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27106; PubChem:CID25190727
|
Local ready
Direct docking supported
|