| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044701
BDB044701
|
BDBM50036984
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N)C(C)C
|
C41H70N4O7 731.032000 |
TZAFKKSWLSPOFB-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036984
|
Local ready
Direct docking supported
|
|
E3L044702
BDB044702
|
BDBM50036985
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(N)=S)C(C)C
|
C40H67N5O7S 762.071000 |
UTDNEDPOQXEAHA-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036985
|
Local ready
Direct docking supported
|
|
E3L044703
BDB044703
|
BDBM50036986
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNc1noc(N)n1)C(C)C
|
C41H67N7O8 786.028000 |
PYCXMQLSJUCSHT-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036986
|
Local ready
Direct docking supported
|
|
E3L044704
BDB044704
|
BDBM50036987
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N)C(C)C
|
C41H71N5O6 730.048000 |
XINZUPRWKXMEIT-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036987
|
Local ready
Direct docking supported
|
|
E3L044705
BDB044705
|
BDBM50036988
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(C)=O)C(C)C
|
C42H70N4O8 759.042000 |
PTUDFZKDZFXUEB-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036988
|
Local ready
Direct docking supported
|
|
E3L044706
BDB044706
|
BDBM50036989
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNc1nnc(N)[nH]1)C(C)C
|
C42H70N8O7 799.071000 |
MIQDPWGPVOXRQZ-LTLCPEALSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036989
|
Local ready
Direct docking supported
|
|
E3L044707
BDB044707
|
BDBM50036990
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCc1ccccn1)C(C)C
|
C43H67N5O6 750.038000 |
NQCRFBCLDYCVON-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036990
|
Local ready
Direct docking supported
|
|
E3L044708
BDB044708
|
BDBM50036991
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC(=O)O)C(C)C
|
C40H66N4O8 730.988000 |
BJKCTKPZTBEUBV-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036991
|
Local ready
Direct docking supported
|
|
E3L044709
BDB044709
|
BDBM50036992
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCC(C)(C)N1CCOCC1)C(C)C
|
C45H76N4O8 801.123000 |
MHLFAFYLTMNSLR-LSLOANPCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036992
|
Local ready
Direct docking supported
|
|
E3L044710
BDB044710
|
BDBM50036993
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCc1cccnc1)C(C)C
|
C43H67N5O6 750.038000 |
ZCTACFQVPLBIDT-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036993
|
Local ready
Direct docking supported
|
|
E3L044711
BDB044711
|
BDBM50036994
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNCCO)C(C)C
|
C41H71N5O7 746.047000 |
FXCGHRBGKDMIGV-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036994
|
Local ready
Direct docking supported
|
|
E3L044712
BDB044712
|
BDBM50036995
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNC(=NC#N)NC)C(C)C
|
C43H71N7O7 798.083000 |
SZIVGNFCRYXZJO-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036995
|
Local ready
Direct docking supported
|
|
E3L044713
BDB044713
|
BDBM50036996
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNc1nnc(N)[nH]1)C(C)C
|
C41H69N9O6 784.060000 |
YVALVXNTVVYYCT-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036996
|
Local ready
Direct docking supported
|
|
E3L044714
BDB044714
|
BDBM50036997
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCC1CCCCC1)C(C)C
|
C45H76N4O6 769.125000 |
YDVHTVDFQOLFHZ-FDXDWZSASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036997
|
Local ready
Direct docking supported
|
|
E3L044715
BDB044715
|
BDBM50036998
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN1CCCC1)C(C)C
|
C43H73N5O6 756.086000 |
KQLKCFLSRUOKAA-HECCNADXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036998
|
Local ready
Direct docking supported
|
|
E3L044716
BDB044716
|
BDBM50036999
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNc1nnc(N)[nH]1)C(C)C
|
C41H68N8O7 785.044000 |
WLWQWTJICJJKFN-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50036999
|
Local ready
Direct docking supported
|
|
E3L044717
BDB044717
|
BDBM50037000
CCCC[C@H](N[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCN)C(C)C
|
C39H67N5O6 701.994000 |
QDETWDAKRHLIJD-XYPUQJIVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037000
|
Local ready
Direct docking supported
|
|
E3L044718
BDB044718
|
BDBM50037001
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(=NC#N)SC)C(C)C
|
C42H68N6O7S 801.108000 |
GCGKJXUSYBJYCD-LQWITFIISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037001
|
Local ready
Direct docking supported
|
|
E3L044719
BDB044719
|
BDBM50037002
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCNC(=O)OCc1ccccc1)C(C)C
|
C47H72N4O9 837.112000 |
XHJSLERNCSBSSN-ZSDKEGLESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037002
|
Local ready
Direct docking supported
|
|
E3L044720
BDB044720
|
BDBM50037003
CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(OCOC)CC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)C[C@H](C(=O)NCCCNCCO)C(C)C
|
C42H72N4O8 761.058000 |
BCAKVKVFRZYTBG-MQDBWYGVSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50037003
|
Local ready
Direct docking supported
|