| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001041
BDB001041
|
BDBM27535
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(CCO)CC1
|
C23H25FN4O3 424.476000 |
DRIHFTMAXLFLFW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27535; PubChem:CID25132258
|
Local ready
Direct docking supported
|
|
E3L001042
BDB001042
|
BDBM27536
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(Cc2ccccc2)CC1
|
C28H28N4O2 452.558000 |
MUWNWTRIOCVHAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27536; PubChem:CID25132259
|
Local ready
Direct docking supported
|
|
E3L001043
BDB001043
|
BDBM27537
CCS(=O)(=O)N1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C23H26N4O4S 454.552000 |
BGVHHYHIASFHBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27537; PubChem:CID25132260
|
Local ready
Direct docking supported
|
|
E3L001044
BDB001044
|
BDBM27538
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(C(=O)N2CCOCC2)CC1
|
C26H29N5O4 475.549000 |
ONYUSAYXJHUYGG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27538; PubChem:CID25132261
|
Local ready
Direct docking supported
|
|
E3L001045
BDB001045
|
BDBM27539
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C(=O)N2CCOCC2)CC1
|
C26H28FN5O4 493.539000 |
NKEGUYTWAJFNHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27539; PubChem:CID25132609
|
Local ready
Direct docking supported
|
|
E3L001046
BDB001046
|
BDBM27540
CC(=O)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C23H23FN4O3 422.460000 |
KIUVKKUPUFKEGB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27540; PubChem:CID25132610
|
Local ready
Direct docking supported
|
|
E3L001047
BDB001047
|
BDBM27541
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C(=O)C2CC2)CC1
|
C25H25FN4O3 448.498000 |
HMBFKXWVDIGBEJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27541; PubChem:CID25132611
|
Local ready
Direct docking supported
|
|
E3L001048
BDB001048
|
BDBM27542
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCNCC1
|
C20H20N4O2 348.406000 |
DDQGJTMUAYKRHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27542; PubChem:CID25132612
|
Local ready
Direct docking supported
|
|
E3L001049
BDB001049
|
BDBM27543
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCNCC1
|
C20H19FN4O2 366.396000 |
MFFUYEOGICAKCK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27543; PubChem:CID11726399
|
Local ready
Direct docking supported
|
|
E3L001050
BDB001050
|
BDBM27544
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccccn2)CC1
|
C25H23N5O2 425.492000 |
KTPOWDHTPBPVFM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27544; PubChem:CID25132613
|
Local ready
Direct docking supported
|
|
E3L001051
BDB001051
|
BDBM27545
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccn2)CC1
|
C25H22FN5O2 443.482000 |
MKSXJRJUBVNORD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27545; PubChem:CID25132952
|
Local ready
Direct docking supported
|
|
E3L001052
BDB001052
|
BDBM27546
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ncccn2)CC1
|
C24H22N6O2 426.480000 |
SFUJPZOVEJALDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27546; PubChem:CID25132953
|
Local ready
Direct docking supported
|
|
E3L001053
BDB001053
|
BDBM27547
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ncccn2)CC1
|
C24H21FN6O2 444.470000 |
KXGNSWHPVPEREO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27547; PubChem:CID25132954
|
Local ready
Direct docking supported
|
|
E3L001054
BDB001054
|
BDBM27548
CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C22H24N4O4S 440.525000 |
LRMWAHYBYFRQHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27548; PubChem:CID25132955
|
Local ready
Direct docking supported
|
|
E3L001055
BDB001055
|
BDBM27549
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C22H23FN4O4S 458.515000 |
MMEQSIXVTSGDJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27549; PubChem:CID25132956
|
Local ready
Direct docking supported
|
|
E3L001056
BDB001056
|
BDBM27550
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(C(=O)N2CCOCC2)CC1
|
C25H27N5O4 461.522000 |
FROYKTFVHHSHFC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27550; PubChem:CID25132957
|
Local ready
Direct docking supported
|
|
E3L001057
BDB001057
|
BDBM27551
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(C(=O)N2CCOCC2)CC1
|
C25H26FN5O4 479.512000 |
UXTPPELPUVQBLA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27551; PubChem:CID25133278
|
Local ready
Direct docking supported
|
|
E3L001058
BDB001058
|
BDBM27552
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ccccc2)CC1
|
C26H24N4O2 424.504000 |
AOCZAFOHUHAOQE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27552; PubChem:CID25133279
|
Local ready
Direct docking supported
|
|
E3L001059
BDB001059
|
BDBM27553
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(c2ccccc2)CC1
|
C26H23FN4O2 442.494000 |
TZJJVQXVQDGNPM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27553; PubChem:CID25133280
|
Local ready
Direct docking supported
|
|
E3L001060
BDB001060
|
BDBM27554
O=C(c1ccccc1)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C27H24N4O3 452.514000 |
KZPOSGMSPGCEQZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM27554; PubChem:CID25133281
|
Local ready
Direct docking supported
|