| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005561
BDB005561
|
BDBM130103
O=c1[nH]c2ccc(OCCCN3CCCCC3)cc2c2c1CCCN2
|
C20H27N3O2 341.455000 |
UWZPTOKPKNIDRJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130103; PubChem:CID58424837
|
Local ready
Direct docking supported
|
|
E3L005562
BDB005562
|
BDBM130104
NCCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C14H17N3O2 259.309000 |
YGPJZZNYKQMCCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130104; PubChem:CID58424927
|
Local ready
Direct docking supported
|
|
E3L005563
BDB005563
|
BDBM130105
O=c1[nH]c2ccc(OCCN3CCC(c4ccccc4)CC3)cc2c2c1CCCN2
|
C25H29N3O2 403.526000 |
YOXMATWWWZISQA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130105; PubChem:CID58425025
|
Local ready
Direct docking supported
|
|
E3L005564
BDB005564
|
BDBM130106
O=c1[nH]c2ccc(OCCO)cc2c2c1CCCN2
|
C14H16N2O3 260.293000 |
QYIXCAWFLXIUNG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130106; PubChem:CID58424843
|
Local ready
Direct docking supported
|
|
E3L005565
BDB005565
|
BDBM130107
O=c1[nH]c2ccc(OCCc3ccccc3)cc2c2c1CCCN2
|
C20H20N2O2 320.392000 |
JCQQERNLVSQDNE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130107; PubChem:CID58424879
|
Local ready
Direct docking supported
|
|
E3L005566
BDB005566
|
BDBM130108
CCN(CC)CCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C18H25N3O2 315.417000 |
SXKKKNCESMZULV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130108; PubChem:CID58424978
|
Local ready
Direct docking supported
|
|
E3L005567
BDB005567
|
BDBM130109
O=c1[nH]c2ccc(OCCN3CCOCC3)cc2c2c1CCCN2
|
C18H23N3O3 329.400000 |
BFRFHSWHHGYXEC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130109; PubChem:CID58424997
|
Local ready
Direct docking supported
|
|
E3L005568
BDB005568
|
BDBM130110
CC[N+]1(CC)CCN(CCOc2ccc3[nH]c(=O)c4c(c3c2)NCCC4)CC1
|
C22H33N4O2+ 385.532000 |
TUKTWISORACARK-UHFFFAOYSA-O | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130110; PubChem:CID58424976
|
Local ready
Direct docking supported
|
|
E3L005569
BDB005569
|
BDBM130111
O=c1[nH]c2ccc(OCCCCN3CCCCC3)cc2c2c1CCCN2
|
C21H29N3O2 355.482000 |
RAEGOSFNXPZLSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130111; PubChem:CID58424941
|
Local ready
Direct docking supported
|
|
E3L005570
BDB005570
|
BDBM130112
CN1CCCc2c1c1cc(OCCN3CCCCC3)ccc1[nH]c2=O
|
C20H27N3O2 341.455000 |
AGMRWVKQLBVVEO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130112; PubChem:CID58425003
|
Local ready
Direct docking supported
|
|
E3L005571
BDB005571
|
BDBM130113
COCn1c(=O)c2c(c3cc(CCN(C)C)ccc31)NCCC2
|
C18H25N3O2 315.417000 |
SQKJYRRCTGPWGN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130113; PubChem:CID58424861
|
Local ready
Direct docking supported
|
|
E3L005572
BDB005572
|
BDBM130114
CN(C)CCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O 271.364000 |
ASWRTXGXQYWWGI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130114; PubChem:CID58424914
|
Local ready
Direct docking supported
|
|
E3L005573
BDB005573
|
BDBM130115
CN(C)CCCc1ccc2[nH]c(=O)c3c(c2c1)NCCC3
|
C17H23N3O 285.391000 |
HCROYSFMALJPIV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130115; PubChem:CID58424990
|
Local ready
Direct docking supported
|
|
E3L005574
BDB005574
|
BDBM130116
CN(C)CCOc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C16H21N3O2 287.363000 |
SYKYWTXKISRCSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130116; PubChem:CID58424993
|
Local ready
Direct docking supported
|
|
E3L005575
BDB005575
|
BDBM130117
O=c1[nH]c2cc(OCCN3CCCCC3)ccc2c2c1CCCN2
|
C19H25N3O2 327.428000 |
JXQCBWSFPSZBGQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130117; PubChem:CID58424982
|
Local ready
Direct docking supported
|
|
E3L005576
BDB005576
|
BDBM130118
CN(C)CCCOc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C17H23N3O2 301.390000 |
ZQRVTNTVSIUEOS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130118; PubChem:CID58424959
|
Local ready
Direct docking supported
|
|
E3L005577
BDB005577
|
8-(dimethylamino)-6H-benzo[h][1,6]naphthyridin-5-one
CN(C)c1ccc2c(c1)[nH]c(=O)c1cccnc12
|
C14H13N3O 239.278000 |
ZOQUZXMMXHAPIU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130119; PubChem:CID86767069
|
Local ready
Direct docking supported
|
|
E3L005578
BDB005578
|
BDBM130120
CC(c1ccc2c3c(c(=O)[nH]c2c1)CCCN3)N(C)C
|
C16H21N3O 271.364000 |
LCDJKORPUPZVMK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130120; PubChem:CID58424965
|
Local ready
Direct docking supported
|
|
E3L005579
BDB005579
|
BDBM130121
CNC(C)c1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C15H19N3O 257.337000 |
ZYMRGZONHFIBCS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130121; PubChem:CID58424874
|
Local ready
Direct docking supported
|
|
E3L005580
BDB005580
|
BDBM130122
CCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3
|
C14H16N2O 228.295000 |
YUTDTGCOZCNEEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM130122; PubChem:CID58424844
|
Local ready
Direct docking supported
|