| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L003201
BDB003201
|
BDBM59502
CN(CC(=O)O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
C10H9F3N2O4 278.186000 |
KNIKUGYZTHXKJS-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59502; PubChem:CID3830553
|
Local ready
Direct docking supported
|
|
E3L003202
BDB003202
|
1-(2-Phenyl-1,3-thiazol-5-yl)ethan-1-one
CC(=O)c1cnc(-c2ccccc2)s1
|
C11H9NOS 203.266000 |
QAJAPTFQPWENFK-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59503; PubChem:CID608996
|
Local ready
Direct docking supported
|
|
E3L003203
BDB003203
|
BDBM59504
COc1ccccc1CNC(=O)COC(=O)Cc1ccsc1
|
C16H17NO4S 319.382000 |
DMPXEWVLIXRXQG-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59504; PubChem:CID2338176
|
Local ready
Direct docking supported
|
|
E3L003204
BDB003204
|
BDBM59505
Cc1ccc(NC(=O)CNC2CCS(=O)(=O)C2)cc1C
|
C14H20N2O3S 296.392000 |
XHEGZUCNHFQTIR-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59505; PubChem:CID4839937
|
Local ready
Direct docking supported
|
|
E3L003205
BDB003205
|
BDBM59506
CC1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)c2)CC(C)O1
|
C23H25N5O6S2 531.616000 |
WVKQFLWNDASKSL-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59506; PubChem:CID4159660
|
Local ready
Direct docking supported
|
|
E3L003206
BDB003206
|
BDBM59507
CCOC(=O)NN=Cc1ccc(Oc2ccccc2)cc1
|
C16H16N2O3 284.315000 |
PGRGHDKSKHFSFM-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM59507
|
Local ready
Direct docking supported
|
|
E3L003207
BDB003207
|
3-(N-benzyl2-chlorobenzenesulfonamido)propanoic acid
O=C(O)CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl
|
C16H16ClNO4S 353.827000 |
IKPUNQUHOKQUQZ-UHFFFAOYSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM59508; PubChem:CID2443720
|
Local ready
Direct docking supported
|
|
E3L003208
BDB003208
|
BDBM59553
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NNC(=O)c1cccc(F)c1
|
C18H15FN4O2 338.342000 |
ZSOBICZDUUBZED-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM59553; PubChem:CID692680
|
Local ready
Direct docking supported
|
|
E3L003209
BDB003209
|
2-nitro-N-(quinolin-8-yl)benzenesulfonamide
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cccnc12
|
C15H11N3O4S 329.337000 |
YCXUFEOBLVZNAP-UHFFFAOYSA-N | O15151, Q99728 | BRCA1-associated RING domain protein 1, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM60287; PubChem:CID739449
|
Local ready
Direct docking supported
|
|
E3L003210
BDB003210
|
BDBM60367
COc1cc(-c2c(C#N)c(=O)[nH]c3c2c(C)nn3-c2ccccc2)ccc1O
|
C21H16N4O3 372.384000 |
YMXCONZIDIDWFJ-UHFFFAOYSA-N | O14727 | Apoptotic protease-activating factor 1 |
BindingDB, PubChem
BindingDB:BDBM60367; PubChem:CID135513636
|
Local ready
Direct docking supported
|
|
E3L003211
BDB003211
|
US9073917, 3-comparative
CCc1[nH]cc2c1NC1=C(C(=O)CCC1)[C@@H]2c1cccc(Oc2nc3ccccc3[nH]2)c1
|
C26H24N4O2 424.504000 |
BRXHKUKMMZTVRE-HSZRJFAPSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM60452; PubChem:CID119057309
|
Local ready
Direct docking supported
|
|
E3L003212
BDB003212
|
BDBM60492
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)c(F)cc12
|
C29H33ClF3N3O3 564.048000 |
CPVLFAPAIXRGNV-FJEPLBHZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM60492; PubChem:CID52938609
|
Local ready
Direct docking supported
|
|
E3L003213
BDB003213
|
BDBM60494
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(F)ccc12
|
C29H34ClF2N3O3 546.058000 |
WOBLKIIJUYHOLE-YJRDPZTCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM60494; PubChem:CID52938610
|
Local ready
Direct docking supported
|
|
E3L003214
BDB003214
|
BDBM60495
CC(C)(C)C[C@H]1N[C@@H](C(=O)NC2CCC(OC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)CC2)[C@H](c2cccc(Cl)c2F)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C43H50Cl2F2N4O6 827.797000 |
SJZZHUDRDGTEMW-KYGSIEARSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM60495
|
Local ready
Direct docking supported
|
|
E3L003215
BDB003215
|
US9079913, MI-716C
O=C(NCC[C@H](O)CO)[C@@H]1N[C@H](CC2CCCCC2)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1cccc(Cl)c1
|
C29H34Cl2FN3O4 578.512000 |
RBOPWYQIRWGZGJ-SYRIZIHISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM60496; PubChem:CID69927413
|
Local ready
Direct docking supported
|
|
E3L003216
BDB003216
|
US9079913, MI-708A
CN1[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1CC(C)(C)C
|
C28H34Cl2FN3O4 566.501000 |
YHCMMEGWFITJQH-FKUBJEGUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM60498; PubChem:CID69926708
|
Local ready
Direct docking supported
|
|
E3L003217
BDB003217
|
BDBM60500
CN1[C@@H](C(=O)NCC[C@@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@@]2(C(=O)Nc3cc(F)c(F)cc32)[C@H]1CC(C)(C)C
|
C28H33ClF3N3O4 568.036000 |
NCVZNOICJNGHGC-AXSIKVPYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM60500
|
Local ready
Direct docking supported
|
|
E3L003218
BDB003218
|
Sgx-523
Cn1cc(-c2ccc3nnc(Sc4ccc5ncccc5c4)n3n2)cn1
|
C18H13N7S 359.418000 |
BCZUAADEACICHN-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Serine/threonine-protein kinase LATS1, Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM60589; PubChem:CID24779724
|
Local ready
Direct docking supported
|
|
E3L003219
BDB003219
|
Tamatinib
COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)NC(=O)C(C)(C)O4)n2)cc(OC)c1OC
|
C22H23FN6O5 470.461000 |
NHHQJBCNYHBUSI-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Serine/threonine-protein kinase LATS1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Mitogen-activated protein kinase kinase kinase 1, Interleukin-1 receptor-associated kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM60665; PubChem:CID11213558
|
Local ready
Direct docking supported
|
|
E3L003220
BDB003220
|
Gsk-J1
O=C(O)CCNc1cc(N2CCc3ccccc3CC2)nc(-c2ccccn2)n1
|
C22H23N5O2 389.459000 |
AVZCPICCWKMZDT-UHFFFAOYSA-N | P29375, P41229, Q8NHM5, Q9BY66 | Lysine-specific demethylase 5D, Lysine-specific demethylase 5C, Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM60875; PubChem:CID56963315
|
Local ready
Direct docking supported
|