| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043821
BDB043821
|
BDBM50014081
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc2ccccc2)OC1=O
|
C36H54N6O8 698.862000 |
BLTYAQBLWIMBHV-QCZWDIFZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014081
|
Local ready
Direct docking supported
|
|
E3L043822
BDB043822
|
BDBM50014082
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N(C)CC(O)CO)OC1=O
|
C35H53N7O9 715.849000 |
IVWGTWKTJPINNF-RRRYISNWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014082
|
Local ready
Direct docking supported
|
|
E3L043823
BDB043823
|
BDBM50014083
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)N2C[C@H](OCOC)[C@H](OCOC)C2)Cc2ccccc2)OC1=O
|
C39H58N6O10 770.925000 |
XDZOMKZUBUHOHZ-MSXNJZMTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014083
|
Local ready
Direct docking supported
|
|
E3L043824
BDB043824
|
A 65317
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOCCOC)Cc2ccccc2)OC1=O
|
C38H58N6O9 742.915000 |
JZRFAIHFMIECQR-AJISXOSTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014084; PubChem:CID9896827
|
Local ready
Direct docking supported
|
|
E3L043825
BDB043825
|
BDBM50014085
CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)N(C)CCOCOCCOC)OC1=O
|
C38H59N7O10 773.929000 |
IWTUMTQOIIHVQC-PJRHAEEISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014085
|
Local ready
Direct docking supported
|
|
E3L043826
BDB043826
|
BDBM50014089
CN(C)CCCN(C)[C@H]1CCN(C(=O)c2[nH]c3cc(Cl)ccc3c2-c2c(-c3ccccc3)ncn2Cc2ccc(Cl)cc2)C1
|
C35H38Cl2N6O 629.636000 |
LWWQYOWAPGRPRH-NDEPHWFRSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50014089; PubChem:CID24969086
|
Local ready
Direct docking supported
|
|
E3L043827
BDB043827
|
BDBM50014090
CC(C)C[C@H](NC(C(=O)NCc1ccccc1)c1c(C(=O)NO)[nH]c2cc(Cl)ccc12)C(=O)NO
|
C24H28ClN5O5 501.971000 |
VRQFWSWBTGHUMK-LROBGIAVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50014090; PubChem:CID71777715
|
Local ready
Direct docking supported
|
|
E3L043828
BDB043828
|
BDBM50014091
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccccc1
|
C23H24ClN3O4 441.915000 |
ZINAJZLZQYEGQO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50014091; PubChem:CID90656493
|
Local ready
Direct docking supported
|
|
E3L043829
BDB043829
|
BDBM50014092
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(Cl)cc1
|
C23H23Cl2N3O4 476.360000 |
ZAOJHZGIRKVCBH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50014092; PubChem:CID56846713
|
Local ready
Direct docking supported
|
|
E3L043830
BDB043830
|
BDBM50014093
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:BDBM50014093; PubChem:CID53470410
|
Local ready
Direct docking supported
|
|
E3L043831
BDB043831
|
BDBM50014094
CC(C)(C)NC(=O)C(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)N(C=O)Cc1ccc(OCc2ccc(Cl)cc2)cc1
|
C30H29Cl2N3O5 582.484000 |
PESUUIPTWNTJKA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50014094; PubChem:CID90656494
|
Local ready
Direct docking supported
|
|
E3L043832
BDB043832
|
BDBM50014095
Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2cccc(Cl)c2)on1
|
C18H20ClN3O4 377.828000 |
LITPAOYSUGZCNV-ZBFHGGJFSA-N | P40337, Q15369, Q15370 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50014095; PubChem:CID57381960
|
Local ready
Direct docking supported
|
|
E3L043833
BDB043833
|
BDBM50014096
CC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](CN[C@@H](Cc1ccccc1)C(N)=O)Cc1ccccc1
|
C40H48N8O5 720.875000 |
QDUWEZGYZYPMBL-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014096
|
Local ready
Direct docking supported
|
|
E3L043834
BDB043834
|
BDBM50014097
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2cccc(N)c2C)cc1
|
C24H26N4O3S 450.564000 |
AFUSGLDYQSDIEU-NQIIRXRSSA-N | P40337, Q15369 | von Hippel-Lindau disease tumor suppressor, Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50014097; PubChem:CID66545747
|
Local ready
Direct docking supported
|
|
E3L043835
BDB043835
|
BDBM50014114
CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C47H60N8O8 865.045000 |
ZPUXYNMXHQIJAW-RPDDGRLGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014114
|
Local ready
Direct docking supported
|
|
E3L043836
BDB043836
|
BDBM50014115
CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O
|
C46H58N8O8 851.018000 |
JQBDGFCMRWSWIS-CKFGABSBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014115
|
Local ready
Direct docking supported
|
|
E3L043837
BDB043837
|
BDBM50014116
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
|
C43H55N7O5 749.957000 |
WSSLYXDIOXIGHB-UYFSSDKWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50014116; PubChem:CID44319823
|
Local ready
Direct docking supported
|
|
E3L043838
BDB043838
|
BDBM50014117
COC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)n1c(O)ccc(NC(O)OCc2ccccc2)c(=O)[nH]c(Cc2ccccc2)c1O)C(=O)OC
|
C50H62N8O12 967.090000 |
MSEUGHRAKBZSLP-ZZIVLOKUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014117
|
Local ready
Direct docking supported
|
|
E3L043839
BDB043839
|
BDBM50014118
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NC(=O)COc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C1=O
|
C44H55N7O7 793.966000 |
XQSHLXBQFWUOQZ-UYFSSDKWSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014118
|
Local ready
Direct docking supported
|
|
E3L043840
BDB043840
|
BDBM50014119
CC(C)CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)N1C(=O)CC[C@@H](NCC(C)(C)C)C(=O)N[C@H](Cc2ccccc2)C1=O
|
C41H59N7O5 729.967000 |
HFBVVHIYZPADFA-AXXKPAGNSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50014119
|
Local ready
Direct docking supported
|