| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056081
BDB056081
|
BDBM50436048
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(F)c(F)c1
|
C23H22ClF2N3O4 477.895000 |
AGRQHAQMUFKJFC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436048; PubChem:CID53470410
|
Local ready
Direct docking supported
|
|
E3L056082
BDB056082
|
BDBM50436049
O=C1Nc2ccc(I)cc2C(=O)N([C@@H](C(=O)O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
|
C23H15Cl2IN2O4 581.193000 |
HQEQUYKKMMKSSX-VQTJNVASSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436049; PubChem:CID73347446
|
Local ready
Direct docking supported
|
|
E3L056083
BDB056083
|
BDBM50436050
CC(C)(C)C[C@H]1N[C@@H](C(=O)NCCN2CCOCC2)[C@@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C29H35Cl2FN4O3 577.528000 |
YTBYOWZWBDYLQF-BYHVZLFPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436050
|
Local ready
Direct docking supported
|
|
E3L056084
BDB056084
|
BDBM50436121
CC(C)C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)Cc1cnc[nH]1)C(=O)N[C@@H]1CSSC[C@H]2NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](C)NC(=O)[C@H]3CCCN3C(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CSSC[C@H](C(=O)O)NC(=O)[C@@H](CC(N)=O)NC2=O)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCNC(=N)N)NC1=O
|
C97H139N27O25S4 2211.611000 |
ZWHDSYOYJKSQRX-RHIJZEKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436121
|
Local ready
Direct docking supported
|
|
E3L056085
BDB056085
|
BDBM50436122
CC(C)C[C@@H](NC(=O)[C@H]1CSSC[C@H]2NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)CSSC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H]([C@H](C)O)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H]3CCCN3C(=O)[C@@H](C)NC(=O)[C@@H](CCCCN)NC2=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)O
|
C97H139N27O25S4 2211.611000 |
PETYOLVFAQBBFE-RHIJZEKDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436122
|
Local ready
Direct docking supported
|
|
E3L056086
BDB056086
|
BDBM50436123
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC2=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O
|
C97H139N27O25S4 2211.611000 |
PETYOLVFAQBBFE-QIEFXISYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436123
|
Local ready
Direct docking supported
|
|
E3L056087
BDB056087
|
BDBM50436444
COc1ccc(COC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)OCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)OC2CCCCCC2)C(=O)N[C@@H](C)C(=O)NN)C(C)C)cc1
|
C49H72N8O13 981.158000 |
CDGQGTCAPATJAN-VSMFIGEKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436444
|
Local ready
Direct docking supported
|
|
E3L056088
BDB056088
|
Boc-Cys(Npys)-Phe-Ile-Arg(Bes(2,4,6-triMe))-OMe
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CSSc1ncccc1[N+](=O)[O-])NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCNC(=N)NS(=O)(=O)c1c(C)cc(C)cc1C)C(=O)OC
|
C44H61N9O11S3 988.225000 |
CZCUSKVSWXFPBT-NLQTYAGUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436445; PubChem:CID72714997
|
Local ready
Direct docking supported
|
|
E3L056089
BDB056089
|
BDBM50436446
COc1ccc(COC(=O)N[C@H](C(=O)N[C@@H](CCC(C)=O)C(=O)N[C@@H](Cc2cn(S(=O)(=O)c3c(C)cc(C)cc3C)c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)NN)C(C)C)cc1
|
C46H61N7O10S 904.100000 |
UBQPYCBMEQUNOK-UNOODAFMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436446
|
Local ready
Direct docking supported
|
|
E3L056090
BDB056090
|
BDBM50436681
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@H](NS(C)(=O)=O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H33Cl2FN4O4S 611.567000 |
NDYCCWGAHKMHEY-IDOSGCAJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436681
|
Local ready
Direct docking supported
|
|
E3L056091
BDB056091
|
BDBM50436682
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
MZBOZBMARIQZGX-GRRGFIRHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436682
|
Local ready
Direct docking supported
|
|
E3L056092
BDB056092
|
BDBM50436683
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@](C)(O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
MZBOZBMARIQZGX-SRZCFZEISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436683
|
Local ready
Direct docking supported
|
|
E3L056093
BDB056093
|
BDBM50436684
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC(C)(C)O)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C27H32Cl2FN3O3 536.475000 |
JRYWEKQNCYQQAJ-NKUCUZEISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436684
|
Local ready
Direct docking supported
|
|
E3L056094
BDB056094
|
BDBM50436685
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
YPBSIJVXMPPDCG-IDOSGCAJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436685
|
Local ready
Direct docking supported
|
|
E3L056095
BDB056095
|
BDBM50436686
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2CC[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C28H32Cl2FN3O3 548.486000 |
YPBSIJVXMPPDCG-GPJJJBLTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436686
|
Local ready
Direct docking supported
|
|
E3L056096
BDB056096
|
BDBM50436687
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C27H30Cl2FN3O3 534.459000 |
NLQIFYWAHULSET-KYVJPXILSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436687
|
Local ready
Direct docking supported
|
|
E3L056097
BDB056097
|
BDBM50436688
CC(C)(C)C[C@@H]1N[C@@H](C(=O)N[C@H]2C[C@H](O)C2)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C27H30Cl2FN3O3 534.459000 |
NLQIFYWAHULSET-CIGJFPSUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50436688
|
Local ready
Direct docking supported
|
|
E3L056098
BDB056098
|
BDBM50436689
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2F)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C27H32Cl2FN3O4 552.474000 |
FYHKPZFIVNTTHR-DTAGWJSLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50436689; PubChem:CID69498017
|
Local ready
Direct docking supported
|
|
E3L056099
BDB056099
|
BDBM50436690
CN(C)CCCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
|
C32H34N6O3 550.663000 |
AWSFTVYABIVKMR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436690; PubChem:CID57946419
|
Local ready
Direct docking supported
|
|
E3L056100
BDB056100
|
BDBM50436691
CN(C)CCOc1ccc(-c2cc3c(NCCc4ccc(NC(=O)Nc5ccccc5)cc4)ncnc3o2)cc1
|
C31H32N6O3 536.636000 |
GJFJLQXYFZSVOD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50436691; PubChem:CID44468256
|
Local ready
Direct docking supported
|