| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051301
BDB051301
|
BDBM50296542
O=C1NCCc2c1ccc1[nH]cc(CCNC3CCCCC3)c21
|
C19H25N3O 311.429000 |
IBXVMVQPTZTSMW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296542; PubChem:CID45272632
|
Local ready
Direct docking supported
|
|
E3L051302
BDB051302
|
BDBM50296543
O=C1NCCc2c1ccc1[nH]cc(CCNCc3ccccc3)c21
|
C20H21N3O 319.408000 |
PPOZJOPYBNSFPF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296543; PubChem:CID45270088
|
Local ready
Direct docking supported
|
|
E3L051303
BDB051303
|
BDBM50296544
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cocn3)c21
|
C17H18N4O2 310.357000 |
TXZFEAREYGSOOA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296544; PubChem:CID45270924
|
Local ready
Direct docking supported
|
|
E3L051304
BDB051304
|
BDBM50296545
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cn[nH]c3)c21
|
C17H19N5O 309.373000 |
GBNXZKUIQKSFDY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296545; PubChem:CID45271764
|
Local ready
Direct docking supported
|
|
E3L051305
BDB051305
|
BDBM50296546
Cn1cc(CNCCc2c[nH]c3ccc4c(c23)CCNC4=O)cn1
|
C18H21N5O 323.400000 |
OIODSGGCOMSLCE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296546; PubChem:CID45272633
|
Local ready
Direct docking supported
|
|
E3L051306
BDB051306
|
BDBM50296547
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cccc4cccnc34)c21
|
C23H22N4O 370.456000 |
NXDMLDJTEYAEAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296547; PubChem:CID45269234
|
Local ready
Direct docking supported
|
|
E3L051307
BDB051307
|
BDBM50296548
CCN(CC)CCc1c[nH]c2ccc3c(c12)CCNC3=O
|
C17H23N3O 285.391000 |
ACRUSVKWMVZJFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296548; PubChem:CID45268371
|
Local ready
Direct docking supported
|
|
E3L051308
BDB051308
|
BDBM50296549
CN1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)C1
|
C19H24N4O2 340.427000 |
KZYOFYQEJLXXSP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296549; PubChem:CID45268372
|
Local ready
Direct docking supported
|
|
E3L051309
BDB051309
|
BDBM50296550
CN1CCC(C(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1
|
C20H26N4O2 354.454000 |
AEYPVXZFCDOPOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296550; PubChem:CID24851771
|
Local ready
Direct docking supported
|
|
E3L051310
BDB051310
|
BDBM50296551
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCNCC3)c21
|
C19H24N4O2 340.427000 |
HUTMGRZOYAWBHA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296551; PubChem:CID45273550
|
Local ready
Direct docking supported
|
|
E3L051311
BDB051311
|
BDBM50296552
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ccncc4)CC3)c21
|
C24H27N5O2 417.513000 |
MVDBPUILKIQRDV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296552; PubChem:CID45267516
|
Local ready
Direct docking supported
|
|
E3L051312
BDB051312
|
BDBM50296553
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ncccn4)CC3)c21
|
C23H26N6O2 418.501000 |
QUWJDVXOKDKIEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296553; PubChem:CID45268384
|
Local ready
Direct docking supported
|
|
E3L051313
BDB051313
|
BDBM50296554
CN1CCC(CC(=O)NCCc2c[nH]c3ccc4c(c23)CCNC4=O)CC1
|
C21H28N4O2 368.481000 |
CQFVIOXFJGDFRT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296554; PubChem:CID24852003
|
Local ready
Direct docking supported
|
|
E3L051314
BDB051314
|
BDBM50296555
CN(C)CC(=O)NCCc1c[nH]c2ccc3c(c12)CCNC3=O
|
C17H22N4O2 314.389000 |
UKVMYPIDUCETTP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296555; PubChem:CID45270094
|
Local ready
Direct docking supported
|
|
E3L051315
BDB051315
|
BDBM50296556
O=C(CN1CCOCC1)NCCc1c[nH]c2ccc3c(c12)CCNC3=O
|
C19H24N4O3 356.426000 |
QJSVEXLVCDJTKO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296556; PubChem:CID24851881
|
Local ready
Direct docking supported
|
|
E3L051316
BDB051316
|
BDBM50296557
O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1ccncc1
|
C19H18N4O2 334.379000 |
XDJBPOOLDFAUJA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296557; PubChem:CID24852124
|
Local ready
Direct docking supported
|
|
E3L051317
BDB051317
|
BDBM50296558
O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1ccccn1
|
C19H18N4O2 334.379000 |
DFFPYDJJMPQRKQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296558; PubChem:CID24851883
|
Local ready
Direct docking supported
|
|
E3L051318
BDB051318
|
BDBM50296559
O=C(NCCc1c[nH]c2ccc3c(c12)CCNC3=O)c1cccnc1
|
C19H18N4O2 334.379000 |
MQPUTFKKYGPCBB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296559; PubChem:CID24851885
|
Local ready
Direct docking supported
|
|
E3L051319
BDB051319
|
BDBM50296560
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCNCC3)c21
|
C18H23N5O2 341.415000 |
TZJJVUZBPNABSN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296560; PubChem:CID24852132
|
Local ready
Direct docking supported
|
|
E3L051320
BDB051320
|
BDBM50296561
O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)N3CCCNCC3)c21
|
C19H25N5O2 355.442000 |
LHXVNDXPHWSUGM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50296561; PubChem:CID24852130
|
Local ready
Direct docking supported
|