| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052341
BDB052341
|
BDBM50316497
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(O)CO)cc2-c2ccnc3[nH]ccc23)cc1
|
C26H24N6O3 468.517000 |
MRVCHPICZWIIEF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316497; PubChem:CID46888642
|
Local ready
Direct docking supported
|
|
E3L052342
BDB052342
|
BDBM50316498
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CCCO)cc2-c2ccnc3[nH]ccc23)cc1
|
C26H24N6O2 452.518000 |
GEUNWTZTVWNSTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316498; PubChem:CID46888643
|
Local ready
Direct docking supported
|
|
E3L052343
BDB052343
|
BDBM50316500
NC(=O)Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C25H21N7O2 451.490000 |
UNYZXVQYBXGDJS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316500; PubChem:CID46888676
|
Local ready
Direct docking supported
|
|
E3L052344
BDB052344
|
BDBM50316501
CCNC(=O)Cn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C27H25N7O2 479.544000 |
HEUIHAJXEGXNNB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316501; PubChem:CID46888677
|
Local ready
Direct docking supported
|
|
E3L052345
BDB052345
|
BDBM50316502
O=C(Nc1ccccc1)Nc1ccc(-c2nn(CC(=O)N3CCOCC3)cc2-c2ccnc3[nH]ccc23)cc1
|
C29H27N7O3 521.581000 |
RHDBNLYQAOUIAE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316502; PubChem:CID46888678
|
Local ready
Direct docking supported
|
|
E3L052346
BDB052346
|
BDBM50316503
CCn1cc(-c2ccnc3[nH]c(-c4cccc(NC(C)=O)c4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C33H29N7O2 555.642000 |
CSFNNUIZTRGKSQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316503; PubChem:CID46888679
|
Local ready
Direct docking supported
|
|
E3L052347
BDB052347
|
BDBM50316504
CCn1cc(-c2ccnc3[nH]c(-c4ccc(NC(C)=O)cc4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C33H29N7O2 555.642000 |
NYHVIVWBHLTODF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316504; PubChem:CID46888680
|
Local ready
Direct docking supported
|
|
E3L052348
BDB052348
|
BDBM50316505
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C34H33N7O 555.686000 |
CRVFIGQYZIENPM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316505; PubChem:CID24815963
|
Local ready
Direct docking supported
|
|
E3L052349
BDB052349
|
BDBM50316506
CCn1cc(-c2ccnc3[nH]c(-c4cc(CN(C)C)ccc4C)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C35H35N7O 569.713000 |
KJAGZTFLBMDQQT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316506; PubChem:CID46888681
|
Local ready
Direct docking supported
|
|
E3L052350
BDB052350
|
BDBM50316507
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C34H33N7O 555.686000 |
BQYUDMQJOHMTEM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316507; PubChem:CID46888682
|
Local ready
Direct docking supported
|
|
E3L052351
BDB052351
|
BDBM50316508
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN(C)C)cc4C)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C35H35N7O 569.713000 |
LLGYBOCRDSLEKE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316508; PubChem:CID46888683
|
Local ready
Direct docking supported
|
|
E3L052352
BDB052352
|
BDBM50316509
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN5CCCC5)c4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C36H35N7O 581.724000 |
LHPRXXKFQZEGMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316509; PubChem:CID46888684
|
Local ready
Direct docking supported
|
|
E3L052353
BDB052353
|
BDBM50316510
CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN5CCOCC5)c4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C36H35N7O2 597.723000 |
HFSFBCFFSSYGFK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316510; PubChem:CID46888685
|
Local ready
Direct docking supported
|
|
E3L052354
BDB052354
|
BDBM50316512
CCn1cc(-c2ccnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1
|
C36H35N7O2 597.723000 |
CBLIPXTZSVBWET-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50316512; PubChem:CID46888686
|
Local ready
Direct docking supported
|
|
E3L052355
BDB052355
|
BDBM50316635
CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)CCCCn2cc(nn2)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C50H70N14O6 963.202000 |
TYNHJKLQRPJVGS-PSHIGVLGSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50316635
|
Local ready
Direct docking supported
|
|
E3L052356
BDB052356
|
Me-Ala-Orn(1)-Pro-Phe-(2).Me-Ala-Orn(2)-Pro-Phe-(1)
CN[C@@H](C)C(=O)N[C@H]1CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)CCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C46H66N10O8 887.096000 |
COFWKVLLSLJLFG-DEPBBLTESA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50316636; PubChem:CID46888403
|
Local ready
Direct docking supported
|
|
E3L052357
BDB052357
|
BDBM50316637
CN[C@@H](C)C(=O)N[C@H]1CCCCn2cc(nn2)[C@H](c2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@H](C)NC)CCCCn2cc(nn2)[C@H](c2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
|
C48H66N14O6 935.148000 |
LOBCZCMHPSMTKA-QATSNOBVSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50316637
|
Local ready
Direct docking supported
|
|
E3L052358
BDB052358
|
BDBM50317066
CCCCCCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C24H28O4 380.484000 |
JBSLSZWLFYDHGN-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317066; PubChem:CID3114054
|
Local ready
Direct docking supported
|
|
E3L052359
BDB052359
|
BDBM50317067
CC(C)CCOC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C23H26O4 366.457000 |
BKIGWJWPWZKNDY-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317067; PubChem:CID3114053
|
Local ready
Direct docking supported
|
|
E3L052360
BDB052360
|
BDBM50317068
CCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
|
C22H24O4 352.430000 |
ATVQCPSTHQBYQA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50317068; PubChem:CID3114052
|
Local ready
Direct docking supported
|