| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052661
BDB052661
|
BDBM50324283
O=C(O)CCc1c(C=C2C(=O)Nc3ccccc32)[nH]c2c1C(=O)CCC2
|
C20H18N2O4 350.374000 |
MMGOTJIEBBQFCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324283; PubChem:CID68792156
|
Local ready
Direct docking supported
|
|
E3L052662
BDB052662
|
BDBM50324284
O=C(O)CCc1c(C=C2C(=O)Nc3ccc(F)cc32)[nH]c2c1C(=O)CCC2
|
C20H17FN2O4 368.364000 |
WMBHFEGLMDPHMG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324284; PubChem:CID68792442
|
Local ready
Direct docking supported
|
|
E3L052663
BDB052663
|
BDBM50324285
CC1(C)CC(=O)c2c([nH]c(C=C3C(=O)Nc4ccc(F)cc43)c2CCC(=O)O)C1
|
C22H21FN2O4 396.418000 |
CSGJTEYSKUXNMF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB
BindingDB:BDBM50324285
|
Local ready
Direct docking supported
|
|
E3L052664
BDB052664
|
BDBM50324535
CN(C)CCCCCCCCC(=O)N(O)CCC(=O)O
|
C14H28N2O4 288.388000 |
SBOZGYUGKHFCFF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50324535; PubChem:CID46899607
|
Local ready
Direct docking supported
|
|
E3L052665
BDB052665
|
5-(6-Quinoxalinylmethylidene)thiazolidine-2,4-dione
O=C1NC(=O)C(=Cc2ccc3nccnc3c2)S1
|
C12H7N3O2S 257.274000 |
SQWZFLMPDUSYGV-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50324735; PubChem:CID24906273
|
Local ready
Direct docking supported
|
|
E3L052666
BDB052666
|
BDBM50324796
O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc([N+](=O)[O-])cc1
|
C24H20ClN3O3 433.895000 |
JJPXEFKUBDVJJP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324796; PubChem:CID46934144
|
Local ready
Direct docking supported
|
|
E3L052667
BDB052667
|
BDBM50324797
O=C(CCc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccncc1
|
C23H20ClN3O 389.886000 |
KTMXBAQZQLHSIQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50324797; PubChem:CID16723801
|
Local ready
Direct docking supported
|
|
E3L052668
BDB052668
|
BDBM50325178
COCCCc1ccc(Cl)c(CN(C(=O)[C@@H](CN)Cc2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C33H39Cl3N2O4 634.044000 |
UPMYXXWLKPRNBD-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50325178; PubChem:CID46945859
|
Local ready
Direct docking supported
|
|
E3L052669
BDB052669
|
BDBM50326012
CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc21
|
C17H11BrCl2N2O3 442.096000 |
IJFMLJQTZKPAMK-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50326012; PubChem:CID75968477
|
Local ready
Direct docking supported
|
|
E3L052670
BDB052670
|
BDBM50326013
CC(=O)ON=C1C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Br)cc21
|
C17H11BrCl2N2O3 442.096000 |
WFWZTHILOPGFPK-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB
BindingDB:BDBM50326013
|
Local ready
Direct docking supported
|
|
E3L052671
BDB052671
|
BDBM50326014
CC(=O)ON=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(I)cc21
|
C17H11Cl2IN2O3 489.096000 |
ULBHZOSESWZSMP-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB
BindingDB:BDBM50326014
|
Local ready
Direct docking supported
|
|
E3L052672
BDB052672
|
BDBM50326015
CCCCc1ccc(-c2n[nH]c(=S)n2-c2ccc(C(C)C)cc2)cc1
|
C21H25N3S 351.519000 |
FUKJYFAJESEHDZ-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50326015; PubChem:CID52942184
|
Local ready
Direct docking supported
|
|
E3L052673
BDB052673
|
Ldn-91946
Nc1c(C(=O)c2ccccc2)sc2[nH]c(=O)c(C(=O)O)cc12
|
C15H10N2O4S 314.322000 |
OJHMDRZMENMQFP-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50326016; PubChem:CID950368
|
Local ready
Direct docking supported
|
|
E3L052674
BDB052674
|
Midostaurin
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4
|
C35H30N4O4 570.649000 |
BMGQWWVMWDBQGC-IIFHNQTCSA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Aurora kinase A, Interleukin-1 receptor-associated kinase 1, U4/U6 small nuclear ribonucleoprotein Prp4, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50326053; PubChem:CID9829523
|
Local ready
Direct docking supported
|
|
E3L052675
BDB052675
|
(S)-3-Hydroxy Midostaurin
CO[C@@H]1[C@H](N(C)C(=O)c2ccccc2)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N[C@H]4O
|
C35H30N4O5 586.648000 |
ZZSBPGIGIUFJRA-AKIDMACVSA-N | O14965, O43172, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, U4/U6 small nuclear ribonucleoprotein Prp4 |
BindingDB, PubChem
BindingDB:BDBM50326054; PubChem:CID52945601
|
Local ready
Direct docking supported
|
|
E3L052676
BDB052676
|
BDBM50326212
CN[C@@H](C)C(=O)N[C@H]1CC[C@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C36H43N5O4 609.771000 |
KQTBMWSEIIBSGS-SLHNNEBYSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50326212
|
Local ready
Direct docking supported
|
|
E3L052677
BDB052677
|
BDBM50326213
CN[C@@H](C)C(=O)N[C@H]1CC[C@H](O)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C28H36N4O4 492.620000 |
YSWSPOWPCMUWGP-GXWFBMCDSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50326213; PubChem:CID46930723
|
Local ready
Direct docking supported
|
|
E3L052678
BDB052678
|
BDBM50326214
CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C36H43N5O4 609.771000 |
KQTBMWSEIIBSGS-KDWADUSMSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50326214
|
Local ready
Direct docking supported
|
|
E3L052679
BDB052679
|
BDBM50326215
CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](O)C[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O
|
C28H36N4O4 492.620000 |
YSWSPOWPCMUWGP-IZFXNUPESA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50326215; PubChem:CID46930628
|
Local ready
Direct docking supported
|
|
E3L052680
BDB052680
|
BDBM50326216
CN[C@@H](C)C(=O)N[C@H]1CC[C@@H](NC(=O)Cc2ccccc2)C[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C33H43N5O4 573.738000 |
BOOCCBUATVVXCL-FCHANPDASA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50326216
|
Local ready
Direct docking supported
|