| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059741
BDB059741
|
BDBM50535023
CC(C)N1CCC(c2nc3cncc4c3n2CCNC4=O)CC1
|
C17H23N5O 313.405000 |
LFYSIXXPLUUHSO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535023; PubChem:CID155529820
|
Local ready
Direct docking supported
|
|
E3L059742
BDB059742
|
BDBM50535024
CCCN1CCC(c2nc3cncc4c3n2CCNC4=O)CC1
|
C17H23N5O 313.405000 |
MCTAAJCXDYTRHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535024; PubChem:CID132601762
|
Local ready
Direct docking supported
|
|
E3L059743
BDB059743
|
BDBM50535025
CN(C)Cc1ccc(-c2nc3cncc4c3n2CCNC4=O)cc1
|
C18H19N5O 321.384000 |
OTJJFMUTRNDGRE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535025; PubChem:CID155569271
|
Local ready
Direct docking supported
|
|
E3L059744
BDB059744
|
BDBM50535026
O=C1NCCn2c(C3CCNCC3)nc3cncc1c32
|
C14H17N5O 271.324000 |
OASWJJGQFUFYKZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50535026; PubChem:CID155519775
|
Local ready
Direct docking supported
|
|
E3L059745
BDB059745
|
BDBM50535043
CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)C(C)(C)S(=O)(=O)C3)cc1
|
C22H29N5O4S 459.572000 |
IZLPVLBNRGPOHA-AWEZNQCLSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50535043; PubChem:CID71547699
|
Local ready
Direct docking supported
|
|
E3L059746
BDB059746
|
BDBM50535081
Cc1ccc(-c2cc3nccnc3c(NCCCCN)n2)cc1
|
C18H21N5 307.401000 |
FYJFZOONLWHKMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50535081; PubChem:CID66556536
|
Local ready
Direct docking supported
|
|
E3L059747
BDB059747
|
BDBM50535119
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N(Cc1ccccn1)Cc1ccccn1
|
C35H43N7O4 625.774000 |
IYQWBHKIQISZMJ-XPTOATBXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50535119
|
Local ready
Direct docking supported
|
|
E3L059748
BDB059748
|
BDBM50535120
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)c1ccccc1
|
C43H50N8O5 758.924000 |
WROBUHFVFDBMRM-KXIGYTACSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50535120
|
Local ready
Direct docking supported
|
|
E3L059749
BDB059749
|
BDBM50535121
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@@H](C(=O)N(Cc1ccccn1)Cc1ccccn1)c1ccccc1
|
C43H50N8O5 758.924000 |
WROBUHFVFDBMRM-RNNONYDNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50535121
|
Local ready
Direct docking supported
|
|
E3L059750
BDB059750
|
BDBM50535122
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1
|
C45H55N9O5 801.993000 |
YEVVNGCYGSNANK-ZQPSMAKISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50535122
|
Local ready
Direct docking supported
|
|
E3L059751
BDB059751
|
BDBM50535123
C=CCc1cccc(/C=N/NC(=O)[C@@H](NC(=O)[C@@H]2CC[C@@H]3CC[C@H](CCNC(=O)c4ccccc4)[C@H](NC(=O)[C@H](CC)NC)C(=O)N32)c2ccccc2)c1O
|
C42H51N7O6 749.913000 |
NFZCUKCYVLOVIA-SZCHVDSXSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50535123
|
Local ready
Direct docking supported
|
|
E3L059752
BDB059752
|
BDBM50535176
CC(=O)Nc1ccc(S(=O)(=O)N(Cc2nn[nH]n2)c2ccc(N(Cc3nn[nH]n3)S(=O)(=O)c3ccc(NC(C)=O)cc3)c3ccccc23)cc1
|
C30H28N12O6S2 716.766000 |
WQIYQSZCGZPQSX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50535176; PubChem:CID146680922
|
Local ready
Direct docking supported
|
|
E3L059753
BDB059753
|
BDBM50535430
COc1ccc(/N=N/c2ccc(OCCc3ccc(OC(C)(C)C(=O)O)cc3)cc2)cc1
|
C25H26N2O5 434.492000 |
ZDSBAQWGOKEOKX-CYYJNZCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535430
|
Local ready
Direct docking supported
|
|
E3L059754
BDB059754
|
BDBM50535431
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(C#N)cc3)cc2)cc1)C(=O)O
|
C25H23N3O4 429.476000 |
ZNFAMHOVLGRTJF-BYYHNAKLSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535431
|
Local ready
Direct docking supported
|
|
E3L059755
BDB059755
|
BDBM50535432
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(Br)cc3)cc2)cc1)C(=O)O
|
C24H23BrN2O4 483.362000 |
ONBRBMYKMJTIBM-CYYJNZCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535432
|
Local ready
Direct docking supported
|
|
E3L059756
BDB059756
|
BDBM50535433
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C24H23ClN2O4 438.911000 |
KQPYHIYYLDSXNW-CYYJNZCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535433
|
Local ready
Direct docking supported
|
|
E3L059757
BDB059757
|
BDBM50535434
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(C(F)(F)F)cc3)cc2)cc1)C(=O)O
|
C25H23F3N2O4 472.463000 |
OTANBUYVYSZGBE-QVIHXGFCSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535434
|
Local ready
Direct docking supported
|
|
E3L059758
BDB059758
|
BDBM50535435
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(Br)cc3)cc2)cc1)C(=O)O
|
C24H23BrN2O4 483.362000 |
RWMVPGSSTVBOHU-CYYJNZCTSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535435
|
Local ready
Direct docking supported
|
|
E3L059759
BDB059759
|
BDBM50535436
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O
|
C24H24N2O4 404.466000 |
VIYVSEMGWXQRLD-OCEACIFDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535436
|
Local ready
Direct docking supported
|
|
E3L059760
BDB059760
|
BDBM50535438
CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc(Cl)cc3)cc2)cc1)C(=O)O
|
C24H23ClN2O4 438.911000 |
DDPKNKQENKAOOH-CYYJNZCTSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50535438
|
Local ready
Direct docking supported
|