| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043921
BDB043921
|
BDBM50016061
CC(C)C[C@H](CC(O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
|
C42H66N4O7 739.011000 |
KJXIVEFMZUQCCF-STEUZRHDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016061
|
Local ready
Direct docking supported
|
|
E3L043922
BDB043922
|
BDBM50016062
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)N(O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C41H61N7O7 763.981000 |
GOMSOSBSLJNXNP-KXMLRWMJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016062
|
Local ready
Direct docking supported
|
|
E3L043923
BDB043923
|
BDBM50016063
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)N(O)C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C44H63N5O7 774.016000 |
LMDMKIIAUKJWCN-IQDIPSPMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016063
|
Local ready
Direct docking supported
|
|
E3L043924
BDB043924
|
BDBM50016064
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)/C=C/C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H56N4O7 680.887000 |
DSJXPTBHMCLQOG-QPJCSUJISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50016064; PubChem:CID44380294
|
Local ready
Direct docking supported
|
|
E3L043925
BDB043925
|
BDBM50016065
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)C/C=C\[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H56N4O6 664.888000 |
UYUVJSRSLLBWOG-OTOQAYLJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016065
|
Local ready
Direct docking supported
|
|
E3L043926
BDB043926
|
BDBM50016066
CC(C)C[C@H](NC(=O)CC(O)[C@H](CC(C)C)NC(=O)CC(O)C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
|
C38H58N4O8 698.902000 |
IRVGSOYIZUFASQ-HXHNTATGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016066
|
Local ready
Direct docking supported
|
|
E3L043927
BDB043927
|
BDBM50016067
CC(C)C[C@H](NC(=O)C[C@@H](O)C(CC1CCCCC1)NC(=O)/C=C/C(O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccc(CNC(=O)OCc2ccccc2)cc1
|
C50H69N5O9 884.128000 |
CQVRCEXSPXWFEA-SRQLEFBDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016067
|
Local ready
Direct docking supported
|
|
E3L043928
BDB043928
|
BDBM50016068
CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)CC(O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)[S+]([O-])C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)NCc1ccccc1
|
C49H71N5O9S 906.200000 |
FEZMDZAMQCWHKX-ZAQKYYGMSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50016068
|
Local ready
Direct docking supported
|
|
E3L043929
BDB043929
|
BDBM50016468
CCCOc1ccc(/C=C2/C(=O)Nc3ccccc32)c(OCCC)c1
|
C21H23NO3 337.419000 |
CODRRTHDNKXPKO-QGOAFFKASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016468; PubChem:CID2487662
|
Local ready
Direct docking supported
|
|
E3L043930
BDB043930
|
BDBM50016469
COc1ccc(/C=C2/C(=O)Nc3ccccc32)c(OC)c1
|
C17H15NO3 281.311000 |
PSRHWNITWXEJJW-NTEUORMPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016469; PubChem:CID722626
|
Local ready
Direct docking supported
|
|
E3L043931
BDB043931
|
BDBM50016470
COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(OC)c1
|
C17H14ClNO3 315.756000 |
FUEZSZJJSDLMRN-VGOFMYFVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016470; PubChem:CID6213796
|
Local ready
Direct docking supported
|
|
E3L043932
BDB043932
|
BDBM50016471
COc1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)c(OC)c1
|
C17H14FNO3 299.301000 |
MPLUGPILQHXGHI-VGOFMYFVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016471; PubChem:CID90643708
|
Local ready
Direct docking supported
|
|
E3L043933
BDB043933
|
BDBM50016472
CCCOc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(OCCC)c1
|
C21H22ClNO3 371.864000 |
XSJIWUVNYJFFLV-WOJGMQOQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016472; PubChem:CID90643709
|
Local ready
Direct docking supported
|
|
E3L043934
BDB043934
|
BDBM50016473
CC(C)Oc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(OC(C)C)c1
|
C21H22ClNO3 371.864000 |
VZQFGBFUSPRCBB-GIJQJNRQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016473; PubChem:CID90643710
|
Local ready
Direct docking supported
|
|
E3L043935
BDB043935
|
BDBM50016474
CC(C)Oc1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c(OC(C)C)c1
|
C21H22ClNO3 371.864000 |
YZPLPXZLSYTSKI-GIJQJNRQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016474; PubChem:CID90643711
|
Local ready
Direct docking supported
|
|
E3L043936
BDB043936
|
BDBM50016475
COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(-c2ccc(C#N)cc2)c1
|
C23H15ClN2O2 386.838000 |
LLSBRTZYMQTJQD-UFFVCSGVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016475; PubChem:CID90643712
|
Local ready
Direct docking supported
|
|
E3L043937
BDB043937
|
BDBM50016476
COc1ccc(/C=C2/C(=O)Nc3cc(F)ccc32)c(-c2ccc(C#N)cc2)c1
|
C23H15FN2O2 370.383000 |
AJEDPQQOLAMBGS-UFFVCSGVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016476; PubChem:CID90643713
|
Local ready
Direct docking supported
|
|
E3L043938
BDB043938
|
BDBM50016477
COc1cccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)c1-c1ccc(C#N)cc1
|
C23H15ClN2O2 386.838000 |
WYGDOPWLZDQSDU-YBFXNURJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016477; PubChem:CID90643714
|
Local ready
Direct docking supported
|
|
E3L043939
BDB043939
|
BDBM50016478
COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(-c2ccc(Cl)cc2)c1
|
C22H15Cl2NO2 396.273000 |
RWHLXFXLEGZYFD-KEBDBYFISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016478; PubChem:CID90643715
|
Local ready
Direct docking supported
|
|
E3L043940
BDB043940
|
BDBM50016480
COc1ccc(/C=C2/C(=O)Nc3ccc(F)cc32)c(-c2ccc(Cl)cc2)c1
|
C22H15ClFNO2 379.818000 |
XIVMQIYMSZBYDZ-KEBDBYFISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016480; PubChem:CID90643716
|
Local ready
Direct docking supported
|