| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053021
BDB053021
|
BDBM50336823
CCN1CCN(C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(C(=O)NC(c2ccccc2)c2ccccc2)C1
|
C28H39N5O3 493.652000 |
DRVHIROAQBIACT-PXTRNLTBSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50336823; PubChem:CID51051425
|
Local ready
Direct docking supported
|
|
E3L053022
BDB053022
|
BDBM50336824
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CN(CCc3ccccc3)CC[C@H]21)C1CCCCC1
|
C27H42N4O2 454.659000 |
DLXZVKWMYKRVCU-OXCBMLQPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50336824; PubChem:CID53325387
|
Local ready
Direct docking supported
|
|
E3L053023
BDB053023
|
BDBM50336825
CN[C@@H](C)C(=O)NC1CCC[C@H]2[C@@H](Cc3ccccc3)C[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O
|
C31H40N4O3 516.686000 |
VDAXJVDOQRUPPG-VWYZBATMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50336825; PubChem:CID53317692
|
Local ready
Direct docking supported
|
|
E3L053024
BDB053024
|
Xmd8-92
CCOc1cc(N2CCC(O)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C
|
C26H30N6O3 474.565000 |
QAPAJIZPZGWAND-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q13263 | Interleukin-1 receptor-associated kinase 1, Serine/threonine-protein kinase LATS1, Transcription intermediary factor 1-beta, Mitogen-activated protein kinase kinase kinase 1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50337134; PubChem:CID46843772
|
Local ready
Direct docking supported
|
|
E3L053025
BDB053025
|
Benzo[e]pyrimido[5,4-b][1,4]diazepin-6(11H)-one, 6
CN1C(=O)c2ccccc2N(C)c2nc(Nc3ccc(S(N)(=O)=O)cc3)ncc21
|
C19H18N6O3S 410.459000 |
CRFHZXHUGPCWJA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50337135; PubChem:CID53319075
|
Local ready
Direct docking supported
|
|
E3L053026
BDB053026
|
6-(2-Aminopyrimidin-4-Yl)-1h-Indazol-3-Amine
Nc1nccc(-c2ccc3c(N)n[nH]c3c2)n1
|
C11H10N6 226.243000 |
QVWIVWPIJUYRRF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50339006; PubChem:CID46215814
|
Local ready
Direct docking supported
|
|
E3L053027
BDB053027
|
3,4-dihydroisoquinolin-1(2H)-one
O=C1NCCc2ccccc21
|
C9H9NO 147.177000 |
YWPMKTWUFVOFPL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50339016; PubChem:CID150896
|
Local ready
Direct docking supported
|
|
E3L053028
BDB053028
|
Ac-Leu-Thr-Phe-Glu-His-Tyr-Trp-Ala-Gln-Leu-Thr-Ser-NH2
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)[C@@H](C)O
|
C73H101N17O20 1536.710000 |
XFJJAXOQAYVJJR-OLECBNHVSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50339161; PubChem:CID53325414
|
Local ready
Direct docking supported
|
|
E3L053029
BDB053029
|
BDBM50339162
COc1ccc(N2N=C3CC2(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O)CCCCNC3=O)cc1
|
C90H123N21O21 1835.100000 |
VNNWJAVPNJUCCJ-JFKDMOTFSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339162
|
Local ready
Direct docking supported
|
|
E3L053030
BDB053030
|
BDBM50339163
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O
|
C91H127N25O20 1891.172000 |
GGDQBGDHZZBTNG-CBIKVEOWSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50339163
|
Local ready
Direct docking supported
|
|
E3L053031
BDB053031
|
BDBM50339164
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(N)=O
|
C93H132N28O19 1946.256000 |
RNDNPIFFEKEHQE-XEJBFJIASA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50339164
|
Local ready
Direct docking supported
|
|
E3L053032
BDB053032
|
BDBM50339165
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O
|
C87H120N20O22 1798.035000 |
JSVYWKASDGWXNC-TZLASIAYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339165
|
Local ready
Direct docking supported
|
|
E3L053033
BDB053033
|
BDBM50339166
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C89H121N23O20 1833.088000 |
DNNRLXNYLTYSJN-VHAXCVKWSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50339166
|
Local ready
Direct docking supported
|
|
E3L053034
BDB053034
|
BDBM50339167
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C90H125N25O19 1861.146000 |
BZEOPCATSFOUGA-NCIQRGHISA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339167
|
Local ready
Direct docking supported
|
|
E3L053035
BDB053035
|
BDBM50339168
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C92H128N26O20 1918.198000 |
GNOKPPBYNVBVAK-UNAWLWNYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339168
|
Local ready
Direct docking supported
|
|
E3L053036
BDB053036
|
BDBM50339169
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C90H130N26O19 1880.193000 |
ZNRVSPZJPHWGPJ-YIRXGZCTSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50339169
|
Local ready
Direct docking supported
|
|
E3L053037
BDB053037
|
BDBM50339170
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C92H133N27O20 1937.245000 |
OUYGZUBALGKPPD-PPISHHLESA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339170
|
Local ready
Direct docking supported
|
|
E3L053038
BDB053038
|
BDBM50339171
C=C(C)C(=O)NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1nnn(-c2ccc(OC)cc2)n1)C(=O)N[C@@H](CO)C(N)=O
|
C92H132ClN27O20 1971.690000 |
JGYFUCWCVSJYBD-VSVLFDTBSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339171
|
Local ready
Direct docking supported
|
|
E3L053039
BDB053039
|
BDBM50339172
COc1ccc(N2N=C(C(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](CO)C(N)=O)CC2C(N)=O)cc1
|
C93H136N26O21 1954.272000 |
WGRYFAPXRJOIIN-BNTDFRGASA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB
BindingDB:BDBM50339172
|
Local ready
Direct docking supported
|
|
E3L053040
BDB053040
|
BDBM50339173
CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O
|
C77H108N18O20 1605.817000 |
WIDBSOYGHSETBD-DTOIXECGSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50339173; PubChem:CID53318829
|
Local ready
Direct docking supported
|