| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009101
BDB009101
|
BDBM214175
CCOc1ccc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1OCC
|
C26H29N3O4 447.535000 |
FEUAZTSYNQTYSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214175; PubChem:CID69045472
|
Local ready
Direct docking supported
|
|
E3L009102
BDB009102
|
BDBM214176
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1Cc1ccccc1
|
C29H27N3O2 449.554000 |
LTFWATZFFCJTAV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214176; PubChem:CID69047815
|
Local ready
Direct docking supported
|
|
E3L009103
BDB009103
|
BDBM214177
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1Nc1ccccc1
|
C28H26N4O2 450.542000 |
VDBZLAQIWDDTPO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214177; PubChem:CID69042867
|
Local ready
Direct docking supported
|
|
E3L009104
BDB009104
|
BDBM214178
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1C(=O)c1ccccc1
|
C29H25N3O3 463.537000 |
ZUPDSGLZEWKIEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214178; PubChem:CID69043231
|
Local ready
Direct docking supported
|
|
E3L009105
BDB009105
|
BDBM214179
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1CCc1ccccc1
|
C30H29N3O2 463.581000 |
DNUUWCXTIAWGFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214179; PubChem:CID69043817
|
Local ready
Direct docking supported
|
|
E3L009106
BDB009106
|
BDBM214180
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cc(Br)ccc1Cl
|
C22H19BrClN3O2 472.770000 |
ZOZKMGXSSKBCNR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214180; PubChem:CID69045822
|
Local ready
Direct docking supported
|
|
E3L009107
BDB009107
|
BDBM214181
Cc1ccc(C(=O)c2ccccc2C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C30H27N3O3 477.564000 |
IYLCPIJOOLMFOV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214181; PubChem:CID69045517
|
Local ready
Direct docking supported
|
|
E3L009108
BDB009108
|
BDBM214182
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccccc1I
|
C22H20IN3O2 485.325000 |
FQTRZZOZKOPLLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214182; PubChem:CID69045449
|
Local ready
Direct docking supported
|
|
E3L009109
BDB009109
|
BDBM214183
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1cccc(I)c1
|
C22H20IN3O2 485.325000 |
HVWJQWJRFWSEKT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214183; PubChem:CID69046759
|
Local ready
Direct docking supported
|
|
E3L009110
BDB009110
|
BDBM214184
O=C(Nc1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1)c1ccc(I)cc1
|
C22H20IN3O2 485.325000 |
RRMTZYSCFZPGSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214184; PubChem:CID69045388
|
Local ready
Direct docking supported
|
|
E3L009111
BDB009111
|
BDBM214185
CC(=O)Nc1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C23H22FN3O2 391.446000 |
ODUKYJQJFVSWQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214185; PubChem:CID25006467
|
Local ready
Direct docking supported
|
|
E3L009112
BDB009112
|
BDBM214186
CS(=O)(=O)c1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C22H21FN2O3S 412.486000 |
WBUMSDXUFORXOP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214186; PubChem:CID25006468
|
Local ready
Direct docking supported
|
|
E3L009113
BDB009113
|
BDBM214187
O=C(c1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1)N1CCCC1
|
C26H26FN3O2 431.511000 |
SDCBMRRKJQBUOK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214187; PubChem:CID25006469
|
Local ready
Direct docking supported
|
|
E3L009114
BDB009114
|
BDBM214188
O=C(c1ccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1)N1CCCC1
|
C26H26FN3O2 431.511000 |
IQQWFCVQDZSDRM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214188; PubChem:CID25006470
|
Local ready
Direct docking supported
|
|
E3L009115
BDB009115
|
BDBM214189
NC(=O)c1cccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1
|
C22H20FN3O2 377.419000 |
BASCQJGJODQYBD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214189; PubChem:CID69090497
|
Local ready
Direct docking supported
|
|
E3L009116
BDB009116
|
BDBM214190
CN(C)C(=O)c1ccc(-c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)cc1
|
C24H24FN3O2 405.473000 |
HGZYUWIYUOWJNP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214190; PubChem:CID25006472
|
Local ready
Direct docking supported
|
|
E3L009117
BDB009117
|
BDBM214191
O=c1[nH]nc(CC(c2ccccc2)C(F)(F)F)c2c1CCCC2
|
C17H17F3N2O 322.330000 |
KPHKVJWJZHRJEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214191; PubChem:CID69042200
|
Local ready
Direct docking supported
|
|
E3L009118
BDB009118
|
BDBM214192
O=c1[nH]nc(CCc2ccccc2)c2c1CCCC2
|
C16H18N2O 254.333000 |
RAYCNHPIRQEKMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214192; PubChem:CID66965500
|
Local ready
Direct docking supported
|
|
E3L009119
BDB009119
|
BDBM214193
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1cccc(Br)c1
|
C17H19BrN2O 347.256000 |
WXKXLYANSQVEQR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214193; PubChem:CID69044249
|
Local ready
Direct docking supported
|
|
E3L009120
BDB009120
|
BDBM214194
CC(C)(C)OC(=O)N1CCNCC1Cc1n[nH]c(=O)c2c1CCCC2
|
C18H28N4O3 348.447000 |
NSWHRZNKVXVUPP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214194; PubChem:CID69043464
|
Local ready
Direct docking supported
|