| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044381
BDB044381
|
BDBM50023030
CC(C)COC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C28H47N3O6 521.699000 |
RUMOJKZUMOVWRI-KELGSRBJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023030; PubChem:CID90663757
|
Local ready
Direct docking supported
|
|
E3L044382
BDB044382
|
BDBM50023031
CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C
|
C35H51N5O5 621.823000 |
KHWUUKOCPOUZAU-QNRWOPMTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023031; PubChem:CID90663763
|
Local ready
Direct docking supported
|
|
E3L044383
BDB044383
|
BDBM50023032
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1
|
C37H53N5O5S 679.928000 |
SKSBFQJKEVVOPX-JDIHBLRXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023032
|
Local ready
Direct docking supported
|
|
E3L044384
BDB044384
|
BDBM50023033
O=C(Nc1cnn(Cc2ccccc2)c1)c1n[nH]c2c1CCC1(CCOC1)C2
|
C21H23N5O2 377.448000 |
DGTFAVKOOZFPJL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50023033; PubChem:CID73293963
|
Local ready
Direct docking supported
|
|
E3L044385
BDB044385
|
BDBM50023034
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C(C)C
|
C30H47N5O7S 621.801000 |
BOCFHWQRLDPGEF-KEVKATSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023034; PubChem:CID90663747
|
Local ready
Direct docking supported
|
|
E3L044386
BDB044386
|
BDBM50023035
CC(C)COC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C31H49N5O6 587.762000 |
HSFWMLBQAHNYKT-LGTXBLIGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023035; PubChem:CID90663783
|
Local ready
Direct docking supported
|
|
E3L044387
BDB044387
|
BDBM50023036
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)COC(C)C
|
C27H45N3O6 507.672000 |
BDIKGNMEHBPIPP-FCJDFRRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023036; PubChem:CID90663759
|
Local ready
Direct docking supported
|
|
E3L044388
BDB044388
|
BDBM50023037
CC(C)CCS(=O)(=O)C[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C32H51N5O7S 649.855000 |
ALPWRSQIBZHTHM-WXIAYYLYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023037
|
Local ready
Direct docking supported
|
|
E3L044389
BDB044389
|
BDBM50023038
CC(C)CSC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C28H47N3O5S 537.767000 |
IATQPQNOHIBPPT-KELGSRBJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023038; PubChem:CID90663774
|
Local ready
Direct docking supported
|
|
E3L044390
BDB044390
|
BDBM50023039
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCCC1
|
C30H49N3O5S 563.805000 |
MJYNGJYATRIJAQ-XDWXJERXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023039; PubChem:CID90663771
|
Local ready
Direct docking supported
|
|
E3L044391
BDB044391
|
BDBM50023041
CC(C)CCC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C32H51N5O5 585.790000 |
WYTJYTNQWLQXNY-WXIAYYLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023041; PubChem:CID90663764
|
Local ready
Direct docking supported
|
|
E3L044392
BDB044392
|
BDBM50023042
CC(C)CC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C
|
C35H51N5O5 621.823000 |
HMHDZBAQEVCMQF-QNRWOPMTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023042; PubChem:CID90663762
|
Local ready
Direct docking supported
|
|
E3L044393
BDB044393
|
BDBM50023043
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC(C)(C)C
|
C28H47N3O5S 537.767000 |
OSJIFORWWVROIK-FCJDFRRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023043; PubChem:CID90663772
|
Local ready
Direct docking supported
|
|
E3L044394
BDB044394
|
BDBM50023044
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC1CCCC1
|
C29H47N3O5S 549.778000 |
DRVLICMVSIYLNP-WQDFSMHNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023044; PubChem:CID90663769
|
Local ready
Direct docking supported
|
|
E3L044395
BDB044395
|
BDBM50023045
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C1CCCCC1
|
C33H51N5O7S 661.866000 |
NRXQAECBMWPEJK-GIFPIDKJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023045; PubChem:CID90663780
|
Local ready
Direct docking supported
|
|
E3L044396
BDB044396
|
BDBM50023046
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)COC(C)C
|
C30H47N5O6 573.735000 |
HOFGDBTZCYBJSI-KEVKATSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023046; PubChem:CID90663745
|
Local ready
Direct docking supported
|
|
E3L044397
BDB044397
|
BDBM50023047
CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSC(C)C
|
C30H47N5O5S 589.803000 |
HOMIXIGBHXBJNJ-KEVKATSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023047; PubChem:CID90663754
|
Local ready
Direct docking supported
|
|
E3L044398
BDB044398
|
BDBM50023048
CC(C)CCSC[C@@H](O)[C@@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C29H49N3O5S 551.794000 |
OBCXXNDAIQTKQH-UHRQBARKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023048; PubChem:CID90663776
|
Local ready
Direct docking supported
|
|
E3L044399
BDB044399
|
BDBM50023049
CC(C)C[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CSc1ccccc1
|
C30H43N3O5S 557.757000 |
BEIZIYBQZSDFFW-XDWXJERXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50023049; PubChem:CID90663752
|
Local ready
Direct docking supported
|
|
E3L044400
BDB044400
|
BDBM50023050
CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C46H64N6O8 829.052000 |
QLMUILQZOPYXCJ-BGBFCPIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50023050
|
Local ready
Direct docking supported
|