| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L042501
BDB042501
|
US12459899, Example 60
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(C#N)cn4)CC3)cc12
|
C24H23FN4O 402.473000 |
LEBWIIQTHBSOHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783970; PubChem:CID156318350
|
Local ready
Direct docking supported
|
|
E3L042502
BDB042502
|
US12459899, Example 62
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)cn4)CC3)cc12
|
C23H23F2N3O 395.453000 |
FUXLJWIFFGMEQF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783971; PubChem:CID156318114
|
Local ready
Direct docking supported
|
|
E3L042503
BDB042503
|
US12459899, Example 63
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(F)nc4)CC3)cc12
|
C23H23F2N3O 395.453000 |
BWWMHBFZXVFBJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783972; PubChem:CID156318167
|
Local ready
Direct docking supported
|
|
E3L042504
BDB042504
|
US12459899, Example 64
Cc1cc(F)cc2c(=O)[nH]c(CCCN3CC=C(c4ccc(C(F)(F)F)cc4)CC3)cc12
|
C25H24F4N2O 444.472000 |
SBKPGNHHWRUAGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783973; PubChem:CID156318206
|
Local ready
Direct docking supported
|
|
E3L042505
BDB042505
|
US12459899, Example 65
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(C(=O)c4cccc(F)c4)CC3)cc12
|
C24H25F2N3O2 425.479000 |
IGIMIANKZQSPHP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783974; PubChem:CID156318032
|
Local ready
Direct docking supported
|
|
E3L042506
BDB042506
|
US12459899, Example 66
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(C(=O)c4ccccc4)CC3)cc12
|
C24H26FN3O2 407.489000 |
YDWCHAAHOUFZCX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783975; PubChem:CID156318291
|
Local ready
Direct docking supported
|
|
E3L042507
BDB042507
|
US12459899, Example 67
Cc1ccc(F)c2c(=O)[nH]c(CCCN3CCN(C(=O)c4ccc(F)cc4)CC3)cc12
|
C24H25F2N3O2 425.479000 |
AANWKQWOEULQTK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783976; PubChem:CID156317927
|
Local ready
Direct docking supported
|
|
E3L042508
BDB042508
|
US12459899, Example 69
N#Cc1ccc(C2=CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1
|
C24H20FN3O2 401.441000 |
FOPPSUOHVQRWMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783978; PubChem:CID156318265
|
Local ready
Direct docking supported
|
|
E3L042509
BDB042509
|
US12459899, Example 70
N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cn1
|
C22H20FN5O2 405.433000 |
VQGVZTHITWPVRV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783979; PubChem:CID156318232
|
Local ready
Direct docking supported
|
|
E3L042510
BDB042510
|
US12459899, Example 71
N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)nc1
|
C22H20FN5O2 405.433000 |
QJPAGBLBGPGCJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783980; PubChem:CID156318349
|
Local ready
Direct docking supported
|
|
E3L042511
BDB042511
|
US12459899, Example 72
N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)cc1F
|
C23H20F2N4O2 422.435000 |
TXUNRDGUTPJRMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783981; PubChem:CID156317993
|
Local ready
Direct docking supported
|
|
E3L042512
BDB042512
|
US12459899, Example 73
N#Cc1ccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)c(F)c1
|
C23H20F2N4O2 422.435000 |
TZORAHGOIUYDCY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783982; PubChem:CID156318120
|
Local ready
Direct docking supported
|
|
E3L042513
BDB042513
|
US12459899, Example 74
[C-]#[N+]c1ccccc1N1CCN(C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)CC1
|
C23H21FN4O2 404.445000 |
GKOAJIYACUWINA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783983; PubChem:CID167326900
|
Local ready
Direct docking supported
|
|
E3L042514
BDB042514
|
US12459899, Example 75
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(c2ccccc2F)CC1
|
C22H21F2N3O2 397.425000 |
SNCPOQDNWBGBDU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783984; PubChem:CID156318520
|
Local ready
Direct docking supported
|
|
E3L042515
BDB042515
|
US12459899, Example 76
[C-]#[N+]c1cc(F)ccc1N1CCN(C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)CC1
|
C23H20F2N4O2 422.435000 |
ZPRICYQCVWOZLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783985; PubChem:CID167326896
|
Local ready
Direct docking supported
|
|
E3L042516
BDB042516
|
US12459899, Example 77
N#Cc1cccc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)c1
|
C23H21FN4O2 404.445000 |
UHTDVZKRTAXIDR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783986; PubChem:CID156317912
|
Local ready
Direct docking supported
|
|
E3L042517
BDB042517
|
US12459899, Example 78
O=C(CCc1cc2cccc(F)c2c(=O)[nH]1)N1CCN(c2ccc(F)cc2F)CC1
|
C22H20F3N3O2 415.415000 |
OPKPQFZYGPHFLP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783987; PubChem:CID156318095
|
Local ready
Direct docking supported
|
|
E3L042518
BDB042518
|
US12459899, Example 79
N#Cc1ccc(F)c(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)c1
|
C23H20F2N4O2 422.435000 |
WWIWPJPWTIHHTM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783988; PubChem:CID156318126
|
Local ready
Direct docking supported
|
|
E3L042519
BDB042519
|
BDBM783989
N#Cc1cc(N2CCN(C(=O)CCc3cc4cccc(F)c4c(=O)[nH]3)CC2)ccc1F
|
C23H20F2N4O2 422.435000 |
DDESUDRRBSBQGX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783989; PubChem:CID156319022
|
Local ready
Direct docking supported
|
|
E3L042520
BDB042520
|
US12459899, Example 81
[C-]#[N+]c1ccc(F)cc1N1CCN(C(=O)CCc2cc3cccc(F)c3c(=O)[nH]2)CC1
|
C23H20F2N4O2 422.435000 |
ZUSQCMPNKSOHAT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM783990; PubChem:CID167326922
|
Local ready
Direct docking supported
|