| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006781
BDB006781
|
BDBM152983
COc1cc(C(=O)OCOC(=O)N[C@@H](C)C(=O)O)ccc1NC(=O)[C@@H]1NC(CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)C1c1cccc(Cl)c1F
|
C36H36Cl2F2N4O8 761.606000 |
RYHJTAUBALMCKF-HHEKMEBNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152983
|
Local ready
Direct docking supported
|
|
E3L006782
BDB006782
|
BDBM152984
COc1cc(C(=O)OCOC(=O)OCCOCCOCCOCCOP(=O)(OCc2ccccc2)OCc2ccccc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C55H60Cl2F2N3O14P 1126.968000 |
KCHMCPSQIQIXLP-VDJKTMBMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152984
|
Local ready
Direct docking supported
|
|
E3L006783
BDB006783
|
BDBM152985
COc1cc(C(=O)OCOC(=O)OCCOCCOCCOCCOP(=O)(O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C41H48Cl2F2N3O14P 946.718000 |
IUYREOALPGFEDN-CXARVUNBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152985
|
Local ready
Direct docking supported
|
|
E3L006784
BDB006784
|
BDBM152986
COc1cc(C(=O)OCOP(=O)(O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C32H32Cl2F2N3O8P 726.497000 |
LVICJYPXNWYEDV-ULWUHOHFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152986
|
Local ready
Direct docking supported
|
|
E3L006785
BDB006785
|
BDBM152987
COc1cc(C(=O)OC(C)OC(=O)O[C@H]2[C@@H]([C@H]3COC(C)(C)O3)C[C@@H]3OC(C)(C)O[C@H]23)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C47H53Cl2F2N3O11 944.853000 |
ZBJSFVIISNQZHP-XSPMNBIQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152987
|
Local ready
Direct docking supported
|
|
E3L006786
BDB006786
|
BDBM152988
COc1cc(C(=O)OC(C)OC(=O)O[C@@H]2[C@@H](O)[C@@H](O)O[C@@H]2[C@H](O)CO)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C40H43Cl2F2N3O12 866.695000 |
PTCOXMZSJDPXTG-MQSURPJJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152988
|
Local ready
Direct docking supported
|
|
E3L006787
BDB006787
|
BDBM152989
COc1cc(C(=O)OC(C)OC(=O)OCCOCCOCCOCCOP(=O)(OCc2ccccc2)OCc2ccccc2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C56H62Cl2F2N3O14P 1140.995000 |
FTKUBIPESMMDIO-GBYNSLPMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152989
|
Local ready
Direct docking supported
|
|
E3L006788
BDB006788
|
BDBM152990
COc1cc(C(=O)OC(C)OC(=O)OCCOCCOCCOCCOP(=O)(O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C42H50Cl2F2N3O14P 960.745000 |
YISUXAPYNWNVSI-WBESVULXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152990
|
Local ready
Direct docking supported
|
|
E3L006789
BDB006789
|
BDBM152991
COc1cc(C(=O)O[C@H](C)OC(=O)N2CCOCC2)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](C#N)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C38H40Cl2F2N4O7 773.661000 |
HSPLQOYQAJREPF-FXTFUQPHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM152991
|
Local ready
Direct docking supported
|
|
E3L006790
BDB006790
|
BDBM153742
O=C1Nc2ccc3ncsc3c2/C1=C/Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
|
C21H15N5O3S2 449.517000 |
GCYXEGSPUDSZJY-PTNGSMBKSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM153742
|
Local ready
Direct docking supported
|
|
E3L006791
BDB006791
|
3-bromo-N-(3-(tert-butylamino)propyl)benzamide
CC(C)(C)NCCCNC(=O)c1cccc(Br)c1
|
C14H21BrN2O 313.239000 |
XUFUVCIZFNREBI-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1 |
BindingDB, PubChem
BindingDB:BDBM154545; PubChem:CID78673861
|
Local ready
Direct docking supported
|
|
E3L006792
BDB006792
|
3-Bromo-N-(3-(dimethylamino)propyl)benzamide
CN(C)CCCNC(=O)c1cccc(Br)c1
|
C12H17BrN2O 285.185000 |
GXLXMBQWFDLFHM-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154546; PubChem:CID3536787
|
Local ready
Direct docking supported
|
|
E3L006793
BDB006793
|
3-Bromo-N-(3-(isopropylamino)propyl)benzamide (3)
CC(C)NCCCNC(=O)c1cccc(Br)c1
|
C13H19BrN2O 299.212000 |
JMPVXLQYTKYEGQ-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154547; PubChem:CID91970634
|
Local ready
Direct docking supported
|
|
E3L006794
BDB006794
|
BDBM154548
CN(CCCNC(=O)c1cccc(Br)c1)C(C)(C)C
|
C15H23BrN2O 327.266000 |
XMDWPDKHPVHRDH-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23, PHD finger protein 1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154548; PubChem:CID91970635
|
Local ready
Direct docking supported
|
|
E3L006795
BDB006795
|
3-Bromo-N-(3-(tert-butoxy)propyl)benzamide (5)
CC(C)(C)OCCCNC(=O)c1cccc(Br)c1
|
C14H20BrNO2 314.223000 |
NEZZIVMTUQKLDX-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23, PHD finger protein 1 |
BindingDB, PubChem
BindingDB:BDBM154549; PubChem:CID91970636
|
Local ready
Direct docking supported
|
|
E3L006796
BDB006796
|
3-Bromo-N-[3-(1-pyrrolidinyl)propyl]benzamide
O=C(NCCCN1CCCC1)c1cccc(Br)c1
|
C14H19BrN2O 311.223000 |
QERUYQVMWBYZRE-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, Lysine-specific demethylase 5A, PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM154550; PubChem:CID60668607
|
Local ready
Direct docking supported
|
|
E3L006797
BDB006797
|
BDBM154551
CC(C)(C)NCCCNS(=O)(=O)c1cccc(Br)c1
|
C13H21BrN2O2S 349.294000 |
RODGWPYKZDULCB-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, PHD finger protein 1, E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154551; PubChem:CID91970637
|
Local ready
Direct docking supported
|
|
E3L006798
BDB006798
|
BDBM154552
CC(C)(C)NCCCNCc1cccc(Br)c1
|
C14H23BrN2 299.256000 |
AHAZFMYWCXMHOO-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, Lysine-specific demethylase 5A, PHD finger protein 1, E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM154552; PubChem:CID91970638
|
Local ready
Direct docking supported
|
|
E3L006799
BDB006799
|
BDBM154553
CC(C)(C)N1CCC(NC(=O)c2cccc(Br)c2)C1
|
C15H21BrN2O 325.250000 |
PCBLAONADKCHEN-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1 |
BindingDB, PubChem
BindingDB:BDBM154553; PubChem:CID91970639
|
Local ready
Direct docking supported
|
|
E3L006800
BDB006800
|
BDBM154554
CC(C)(C)N1CCN(C(=O)c2cccc(Br)c2)CC1
|
C15H21BrN2O 325.250000 |
AIAVNBRCOLXLIC-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1 |
BindingDB, PubChem
BindingDB:BDBM154554; PubChem:CID61072363
|
Local ready
Direct docking supported
|