| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056221
BDB056221
|
BDBM50439493
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H]3C[C@@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C30H43N5O4 537.705000 |
OGTGKCOHYGILPQ-BBAYRLSSSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50439493
|
Local ready
Direct docking supported
|
|
E3L056222
BDB056222
|
BDBM50439494
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@H]3C[C@H]3N2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C30H43N5O4 537.705000 |
OGTGKCOHYGILPQ-VIYVJXCBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50439494
|
Local ready
Direct docking supported
|
|
E3L056223
BDB056223
|
Nvp-tnks-656
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)COCC4)CC3CC3)CC2)cc1
|
C27H34N4O5 494.592000 |
DYGBNAYFDZEYBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439791; PubChem:CID136237316
|
Local ready
Direct docking supported
|
|
E3L056224
BDB056224
|
BDBM50439792
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)CC2CC2)CC1
|
C26H31FN4O4 482.556000 |
ZBJVKCDYVCVOIF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439792; PubChem:CID136237361
|
Local ready
Direct docking supported
|
|
E3L056225
BDB056225
|
BDBM50439794
CCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C24H29FN4O4 456.518000 |
TWJFMOWGAAKBEI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439794; PubChem:CID136244045
|
Local ready
Direct docking supported
|
|
E3L056226
BDB056226
|
BDBM50439795
CCCN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C25H31FN4O4 470.545000 |
CCVBOAMGJQRBBT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439795; PubChem:CID136219321
|
Local ready
Direct docking supported
|
|
E3L056227
BDB056227
|
BDBM50439796
CC(C)CN(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C26H33FN4O4 484.572000 |
GXCGSCMUTWIBEU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439796; PubChem:CID136237372
|
Local ready
Direct docking supported
|
|
E3L056228
BDB056228
|
BDBM50439797
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccccn2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1
|
C28H30FN5O4 519.577000 |
NTQHXNALUQPZJR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439797; PubChem:CID136237359
|
Local ready
Direct docking supported
|
|
E3L056229
BDB056229
|
BDBM50439798
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccccc2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1
|
C29H31FN4O4 518.589000 |
JDRRUNIVJVAXBH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439798; PubChem:CID136237396
|
Local ready
Direct docking supported
|
|
E3L056230
BDB056230
|
BDBM50439799
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2cccs2)CC1
|
C27H29FN4O4S 524.618000 |
SUKHPNUTRMBUST-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439799; PubChem:CID135566852
|
Local ready
Direct docking supported
|
|
E3L056231
BDB056231
|
BDBM50439800
O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)NCc1nc2c(c(=O)[nH]1)COCC2
|
C22H25FN4O4 428.464000 |
IAGKBCUKKSAKTF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439800; PubChem:CID136237302
|
Local ready
Direct docking supported
|
|
E3L056232
BDB056232
|
BDBM50439801
COc1cc(Cl)c(C#N)cc1C(=O)NCCN1CCC(C(=O)c2ccc(F)cc2)CC1
|
C23H23ClFN3O3 443.906000 |
LTVIGJUDBNCHPV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439801; PubChem:CID20254879
|
Local ready
Direct docking supported
|
|
E3L056233
BDB056233
|
BDBM50439810
O=C(CCc1ccccc1)N(Cc1ccsc1)Cc1nc2c(c(=O)[nH]1)COCC2
|
C22H23N3O3S 409.511000 |
PAYUOEWQFXYUAQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439810; PubChem:CID136232699
|
Local ready
Direct docking supported
|
|
E3L056234
BDB056234
|
BDBM50439812
O=C(CCc1ccccc1)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1
|
C23H21N3O2S 403.507000 |
SKYFUELJMZKOQQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439812; PubChem:CID135478170
|
Local ready
Direct docking supported
|
|
E3L056235
BDB056235
|
BDBM50439824
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1COCC2
|
C14H11F3N2O2 296.248000 |
HHLLHTOFIMTHMI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439824; PubChem:CID135741891
|
Local ready
Direct docking supported
|
|
E3L056236
BDB056236
|
2-[4-(Trifluoromethyl)phenyl]-3h-Quinazolin-4-One
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2ccccc12
|
C15H9F3N2O 290.244000 |
LSKQRMBPLLMJRR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439825; PubChem:CID135566970
|
Local ready
Direct docking supported
|
|
E3L056237
BDB056237
|
BDBM50439826
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCCC2
|
C15H13F3N2O 294.276000 |
RLEBLHKNUCJVNF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439826; PubChem:CID135741330
|
Local ready
Direct docking supported
|
|
E3L056238
BDB056238
|
BDBM50439827
O=C1NC(c2ccc(C(F)(F)F)cc2)=NC2CSCC12
|
C13H11F3N2OS 300.305000 |
IMGVRRFHXDRFEY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439827; PubChem:CID71819164
|
Local ready
Direct docking supported
|
|
E3L056239
BDB056239
|
BDBM50439828
O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1SCCC2
|
C14H11F3N2OS 312.316000 |
BTCPLJSFXYRLAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50439828; PubChem:CID135741892
|
Local ready
Direct docking supported
|
|
E3L056240
BDB056240
|
BDBM50440027
O=C(CCc1ccc(Cl)cc1Cl)Nc1nnc2n1CCS2
|
C13H12Cl2N4OS 343.239000 |
WPVANBBTWUUEFL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50440027; PubChem:CID73056614
|
Local ready
Direct docking supported
|