| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046601
BDB046601
|
BDBM50145091
CC(C)c1ccc(C2c3n[nH]c(=O)c4cccc(c34)NC2c2ccc(CN(C)C)cc2)cc1
|
C28H30N4O 438.575000 |
PRXUVUNGLYWTRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145091; PubChem:CID136265177
|
Local ready
Direct docking supported
|
|
E3L046602
BDB046602
|
BDBM50145092
Cc1ccc(C2c3n[nH]c(=O)c4cccc(c34)NC2c2ccc(CN(C)C)cc2)cc1
|
C26H26N4O 410.521000 |
GVSORFPHFXQBDJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145092; PubChem:CID136265176
|
Local ready
Direct docking supported
|
|
E3L046603
BDB046603
|
BDBM50145093
CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(C(F)(F)F)cc2)cc1
|
C26H23F3N4O 464.491000 |
RSPLYJPLQFFQNT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145093; PubChem:CID136186322
|
Local ready
Direct docking supported
|
|
E3L046604
BDB046604
|
BDBM50145094
CN(C)Cc1ccc(C2Nc3cccc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1
|
C25H23FN4O 414.484000 |
QOITWWGIMYRLSV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145094; PubChem:CID136056880
|
Local ready
Direct docking supported
|
|
E3L046605
BDB046605
|
BDBM50145095
CN(C)Cc1ccc(C2Nc3cc(F)cc4c(=O)[nH]nc(c34)C2c2ccccc2)cc1
|
C25H23FN4O 414.484000 |
AYGBRSIXAPSSRF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145095; PubChem:CID136056842
|
Local ready
Direct docking supported
|
|
E3L046606
BDB046606
|
BDBM50145096
CN(C)Cc1ccc(C2Nc3cc(F)cc4c(=O)[nH]nc(c34)C2c2ccc(F)cc2)cc1
|
C25H22F2N4O 432.474000 |
IIMFCIMKIXYSAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145096; PubChem:CID136186310
|
Local ready
Direct docking supported
|
|
E3L046607
BDB046607
|
BDBM50145097
CN1CCN(Cc2ccc(C3Nc4cccc5c(=O)[nH]nc(c45)C3c3ccccc3)cc2)CC1
|
C28H29N5O 451.574000 |
IBTSZGGZYOHTBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145097; PubChem:CID136385224
|
Local ready
Direct docking supported
|
|
E3L046608
BDB046608
|
BDBM50145098
O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCCC3)cc1)C2c1ccccc1
|
C27H26N4O 422.532000 |
QRRXIQPVIZSLHQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145098; PubChem:CID136186312
|
Local ready
Direct docking supported
|
|
E3L046609
BDB046609
|
BDBM50145099
O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCC3)cc1)C2c1ccccc1
|
C26H24N4O 408.505000 |
DDDWCXKAHSQDHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145099; PubChem:CID136186318
|
Local ready
Direct docking supported
|
|
E3L046610
BDB046610
|
BDBM50145100
O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCCC3)cc1)C2c1ccc(F)cc1
|
C27H25FN4O 440.522000 |
LMDYVMNOLJGYBG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145100; PubChem:CID136385313
|
Local ready
Direct docking supported
|
|
E3L046611
BDB046611
|
BDBM50145101
O=c1[nH]nc2c3c(cccc13)NC(c1ccc(CN3CCC3)cc1)C2c1ccc(F)cc1
|
C26H23FN4O 426.495000 |
UMTZOWPWZLHANK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145101; PubChem:CID136130843
|
Local ready
Direct docking supported
|
|
E3L046612
BDB046612
|
BDBM50145102
O=c1[nH]nc2c3c(cccc13)NC(c1ccncc1)C2c1ccncc1
|
C20H15N5O 341.374000 |
UHFNBDDZLDMOPG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145102; PubChem:CID135924347
|
Local ready
Direct docking supported
|
|
E3L046613
BDB046613
|
BDBM50145103
O=c1[nH]nc2c3c(cccc13)NC(c1ccccn1)C2c1ccccn1
|
C20H15N5O 341.374000 |
ULPMFQRNYGWKAD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145103; PubChem:CID136385220
|
Local ready
Direct docking supported
|
|
E3L046614
BDB046614
|
BDBM50145104
O=c1[nH]nc2c3c(cccc13)NC(c1cccnc1)C2c1cccnc1
|
C20H15N5O 341.374000 |
SUVRIGMVTIDCKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145104; PubChem:CID136385312
|
Local ready
Direct docking supported
|
|
E3L046615
BDB046615
|
BDBM50145105
Cn1ccnc1C1Nc2cccc3c(=O)[nH]nc(c23)C1c1nccn1C
|
C18H17N7O 347.382000 |
OVSNPTZKZPHLSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145105; PubChem:CID136385215
|
Local ready
Direct docking supported
|
|
E3L046616
BDB046616
|
BDBM50145119
O=c1[nH]nc2c3c(cccc13)NC(c1cccnc1)C2C1CCCNC1
|
C20H21N5O 347.422000 |
YYYAYCXVNBZJEH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145119; PubChem:CID136053646
|
Local ready
Direct docking supported
|
|
E3L046617
BDB046617
|
BDBM50145128
CC(C)C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccccc1
|
C19H19N3O 305.381000 |
MVPQSIVTBUKUSY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145128; PubChem:CID136053647
|
Local ready
Direct docking supported
|
|
E3L046618
BDB046618
|
BDBM50145130
Cn1ccnc1C1Nc2cccc3c(=O)[nH]nc(c23)C1c1ccccc1
|
C20H17N5O 343.390000 |
PRMNVDYRVPGJAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145130; PubChem:CID135924304
|
Local ready
Direct docking supported
|
|
E3L046619
BDB046619
|
BDBM50145131
Cn1ccnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccccc1
|
C20H17N5O 343.390000 |
YQARNKZGTURPLI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145131; PubChem:CID136130845
|
Local ready
Direct docking supported
|
|
E3L046620
BDB046620
|
BDBM50145132
Cn1ccnc1C1c2n[nH]c(=O)c3cccc(c23)NC1c1ccc(F)cc1
|
C20H16FN5O 361.380000 |
SOMLCVOFFCJGNU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50145132; PubChem:CID136140118
|
Local ready
Direct docking supported
|