| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L009221
BDB009221
|
BDBM214297
CSc1cccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C23H23N3O2S 405.523000 |
NNJPRFSUMZUUFO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214297; PubChem:CID69045474
|
Local ready
Direct docking supported
|
|
E3L009222
BDB009222
|
BDBM214298
CSc1ccc(NC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C23H23N3O2S 405.523000 |
QWTOOLCRHZFPAQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214298; PubChem:CID69045702
|
Local ready
Direct docking supported
|
|
E3L009223
BDB009223
|
BDBM214299
O=C(Nc1ccc(N2CCCCC2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C27H30N4O2 442.563000 |
HPOROAZTRQVNIO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214299; PubChem:CID69042870
|
Local ready
Direct docking supported
|
|
E3L009224
BDB009224
|
BDBM214300
O=C(Nc1ccc(N2CCOCC2)cc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H28N4O3 444.535000 |
MJBIRGVCYZCANP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214300; PubChem:CID69046772
|
Local ready
Direct docking supported
|
|
E3L009225
BDB009225
|
BDBM214301
O=C(Nc1ccccc1Nc1ccccc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C28H26N4O2 450.542000 |
GNJOVICHMVFGFQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214301; PubChem:CID69044181
|
Local ready
Direct docking supported
|
|
E3L009226
BDB009226
|
BDBM214302
COc1ccc(Nc2ccc(NC(=O)c3cccc(Cc4n[nH]c(=O)c5c4CCCC5)c3)cc2)cc1
|
C29H28N4O3 480.568000 |
KIEBQADNTDZONH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214302; PubChem:CID69043832
|
Local ready
Direct docking supported
|
|
E3L009227
BDB009227
|
BDBM214303
O=C(Nc1ccc2ncccc2c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H22N4O2 410.477000 |
XBGSNGUXCMJMPS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214303; PubChem:CID69047420
|
Local ready
Direct docking supported
|
|
E3L009228
BDB009228
|
BDBM214304
O=C(Nc1cccc2c(O)cccc12)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C26H23N3O3 425.488000 |
GQPCGCJBPWOTHU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214304; PubChem:CID69044372
|
Local ready
Direct docking supported
|
|
E3L009229
BDB009229
|
BDBM214305
O=C(Nc1ccc2cn[nH]c2c1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H21N5O2 399.454000 |
BCOHTGHHTRYZRQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214305; PubChem:CID69090599
|
Local ready
Direct docking supported
|
|
E3L009230
BDB009230
|
BDBM214306
O=c1[nH]nc(Cc2ccc(F)cc2)c2ncccc12
|
C14H10FN3O 255.252000 |
UTLSJXWLWWQTKU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214306; PubChem:CID69044951
|
Local ready
Direct docking supported
|
|
E3L009231
BDB009231
|
BDBM214307
O=c1[nH]nc(Cc2ccc(F)c(Cl)c2)c2ncccc12
|
C14H9ClFN3O 289.697000 |
IDSALYFXMODCLK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214307; PubChem:CID69042147
|
Local ready
Direct docking supported
|
|
E3L009232
BDB009232
|
BDBM214308
O=C1CC[C@@H]2COc3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cc3N12
|
C20H21N3O3 351.406000 |
ZEUAZPMXRODXMI-CYBMUJFWSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214308; PubChem:CID69090510
|
Local ready
Direct docking supported
|
|
E3L009233
BDB009233
|
BDBM214309
CN(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)S(C)(=O)=O
|
C17H20FN3O3S 365.430000 |
RJFGEMKDBIFLTH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214309; PubChem:CID25007590
|
Local ready
Direct docking supported
|
|
E3L009234
BDB009234
|
BDBM214310
CC(C)(O)C(=O)Nc1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F
|
C19H22FN3O3 359.401000 |
BUFXEKBTDLJIFK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214310; PubChem:CID25007591
|
Local ready
Direct docking supported
|
|
E3L009235
BDB009235
|
BDBM214311
O=C1CC[C@H]2COc3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cc3N12
|
C20H21N3O3 351.406000 |
ZEUAZPMXRODXMI-ZDUSSCGKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214311; PubChem:CID69090546
|
Local ready
Direct docking supported
|
|
E3L009236
BDB009236
|
BDBM214312
O=C(NCCc1ccccc1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C24H25N3O2 387.483000 |
CBWNXCRQVQTCKC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214312; PubChem:CID69044370
|
Local ready
Direct docking supported
|
|
E3L009237
BDB009237
|
BDBM214313
Cc1ccccc1CCNC(=O)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C25H27N3O2 401.510000 |
MLVUCJICEQVNRS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214313; PubChem:CID69042194
|
Local ready
Direct docking supported
|
|
E3L009238
BDB009238
|
BDBM214314
Cc1cccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c1
|
C25H27N3O2 401.510000 |
CSZVKSLMTGRXTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214314; PubChem:CID69045349
|
Local ready
Direct docking supported
|
|
E3L009239
BDB009239
|
BDBM214315
Cc1ccc(CCNC(=O)c2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)cc1
|
C25H27N3O2 401.510000 |
KGCLVKYRJRCUQP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214315; PubChem:CID69045367
|
Local ready
Direct docking supported
|
|
E3L009240
BDB009240
|
BDBM214316
O=C(NCCc1ccccn1)c1cccc(Cc2n[nH]c(=O)c3c2CCCC3)c1
|
C23H24N4O2 388.471000 |
OULLWWUFULJZHG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM214316; PubChem:CID69042952
|
Local ready
Direct docking supported
|