| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054081
BDB054081
|
BDBM50363443
COc1cc(O)c2c(c1C(=O)NCc1cc(CCC(=O)O)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C31H27NO9 557.555000 |
LCJGIUUVMMLGJH-LDCRUHPQSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363443; PubChem:CID91404610
|
Local ready
Direct docking supported
|
|
E3L054082
BDB054082
|
BDBM50363444
COC(=O)CCCc1cc(CNC(=O)c2c(OC)cc(O)c3c2OC2=CC(=O)C(C(C)=O)C(=O)[C@]23C)c2ccccc2c1
|
C33H31NO9 585.609000 |
IIOQUBMJVSPTCQ-WUWQCRANSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363444; PubChem:CID91930529
|
Local ready
Direct docking supported
|
|
E3L054083
BDB054083
|
BDBM50363445
COc1cc(O)c2c(c1C(=O)NCc1cc(CCCC(=O)O)cc3ccccc13)OC1=CC(=O)C(C(C)=O)C(=O)[C@]12C
|
C32H29NO9 571.582000 |
OFQQZHZSWKARCI-WPNNEGNSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50363445; PubChem:CID91930530
|
Local ready
Direct docking supported
|
|
E3L054084
BDB054084
|
H-Cys(1)-Thr-Arg-Pro-Trp-Trp-Leu-Cys(1)-Gly-NH2
CC(C)C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC1=O
|
C51H71N15O10S2 1118.358000 |
PAQSLHOSTWBBHL-XTMBZNHYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363992; PubChem:CID57394673
|
Local ready
Direct docking supported
|
|
E3L054085
BDB054085
|
H-Cys(1)-Pro-Arg-Phe-Leu-Pro-Trp-Cys(1)-Gly-NH2
CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
|
C50H70N14O9S2 1075.333000 |
BMAQVALJZUZIAK-AVQLNANTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363993; PubChem:CID57394674
|
Local ready
Direct docking supported
|
|
E3L054086
BDB054086
|
H-Cys(1)-Asp-Gly-Val-Pro-Trp-His-Cys(1)-Gly-NH2
CC(C)[C@@H]1NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C1=O
|
C41H55N13O11S2 970.105000 |
BCABKEPRFQBBLZ-ZSOIMIOSSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363994; PubChem:CID57399870
|
Local ready
Direct docking supported
|
|
E3L054087
BDB054087
|
BDBM50363995
[C][C@@H]([O])[C@@H]1[N]C(=O)[C][N]C(=O)[C@H]([C]C([O])=O)[N]C(=O)[C@@H]([N])[C]SS[C][C@@H](C(=O)[N][C]C([N])=O)[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@H]([C][C][C]N=C([N])[N])[N]C(=O)[C@@H]2[C][C][C]N2C1=O
|
C35H8N16O12S2 908.683000 |
JTJQUKVXXPGKPT-MHJVTTCDSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50363995
|
Local ready
Direct docking supported
|
|
E3L054088
BDB054088
|
H-Cys(1)-His-Pro-Gln-Gly-Asp-Thr-Cys(1)-Gly-NH2
C[C@@H](O)[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC1=O
|
C34H51N13O13S2 913.994000 |
YHSYEUTZDOVDQP-RQMIKUMQSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363996; PubChem:CID57399871
|
Local ready
Direct docking supported
|
|
E3L054089
BDB054089
|
H-Cys(1)-Gly-His-Pro-Gln-Val-Pro-Cys(1)-Gly-NH2
CC(C)[C@@H]1NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CSSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C1=O
|
C36H55N13O10S2 894.051000 |
QNVVHTNQLYNKQE-PJISZCNBSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50363997; PubChem:CID57401650
|
Local ready
Direct docking supported
|
|
E3L054090
BDB054090
|
BDBM50364484
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1C[C@@H]2CC[C@H]1N(CCc1ccccc1)C2)C1CCCCC1
|
C27H42N4O2 454.659000 |
GBQXNBCXOOCMBG-GILAWRQCSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50364484; PubChem:CID57396041
|
Local ready
Direct docking supported
|
|
E3L054091
BDB054091
|
NG5DD6UA5D
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CCN(CCc3ccccc3)C[C@H]21)C1CCCCC1
|
C27H42N4O2 454.659000 |
HCSMRSHIIKPNAK-LSAVBLLPSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50364485; PubChem:CID11503417
|
Local ready
Direct docking supported
|
|
E3L054092
BDB054092
|
BDBM50364486
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C1CCCCC1
|
C25H40N4O2 428.621000 |
BLJRIUMEKILZNZ-VJBMBRPKSA-N | P98170, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50364486; PubChem:CID57400338
|
Local ready
Direct docking supported
|
|
E3L054093
BDB054093
|
BDBM50364487
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2c[nH]c3ccccc23)C1)C(C)(C)C
|
C25H39N5O2 441.620000 |
YUXKBKWDURSUJP-LQBOVUBWSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364487; PubChem:CID57390756
|
Local ready
Direct docking supported
|
|
E3L054094
BDB054094
|
BDBM50364488
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccncc2)C1)C(C)(C)C
|
C22H37N5O2 403.571000 |
QHBDOQQBLXFBQV-YTQUADARSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364488; PubChem:CID57401197
|
Local ready
Direct docking supported
|
|
E3L054095
BDB054095
|
BDBM50364489
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccn2)C1)C(C)(C)C
|
C22H37N5O2 403.571000 |
PVWUDIJTUZCOMT-YTQUADARSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364489; PubChem:CID57392503
|
Local ready
Direct docking supported
|
|
E3L054096
BDB054096
|
BDBM50364490
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C(F)(F)F)cc2)C1)C(C)(C)C
|
C24H37F3N4O2 470.580000 |
ALFIBOPSIAUNIQ-FFZOFVMBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364490; PubChem:CID57390699
|
Local ready
Direct docking supported
|
|
E3L054097
BDB054097
|
BDBM50364491
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C
|
C23H37N5O4 447.580000 |
QAEZJDXRJBVTSY-XKGZKEIXSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364491; PubChem:CID57401196
|
Local ready
Direct docking supported
|
|
E3L054098
BDB054098
|
BDBM50364492
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(O)cc2)C1)C(C)(C)C
|
C23H38N4O3 418.582000 |
ORLJFZJKOXJMPA-XKGZKEIXSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364492; PubChem:CID57401195
|
Local ready
Direct docking supported
|
|
E3L054099
BDB054099
|
BDBM50364493
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(C)cc2)C1)C(C)(C)C
|
C24H40N4O2 416.610000 |
SDGMUWHPAOSSST-SESVDKBCSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364493; PubChem:CID57399438
|
Local ready
Direct docking supported
|
|
E3L054100
BDB054100
|
BDBM50364494
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccc(Br)cc2)C1)C(C)(C)C
|
C23H37BrN4O2 481.479000 |
WXJRCVBUKYXHLD-FFZOFVMBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50364494; PubChem:CID57394212
|
Local ready
Direct docking supported
|