| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055981
BDB055981
|
BDBM50434424
C[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C29H43ClN4O4 547.140000 |
SGMVPXGALXMLHO-JUQFAKHISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434424
|
Local ready
Direct docking supported
|
|
E3L055982
BDB055982
|
BDBM50434425
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C30H45ClN4O4 561.167000 |
MGQQKSSUXHKDSK-AYYITOKJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434425
|
Local ready
Direct docking supported
|
|
E3L055983
BDB055983
|
BDBM50434426
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)N[C@H]1C2CC3CC1C[C@](O)(C3)C2
|
C31H47ClN4O4 575.194000 |
ACQUOAYRAUXOAO-YORZAYTESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50434426
|
Local ready
Direct docking supported
|
|
E3L055984
BDB055984
|
BDBM50434427
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC1(CO)CCCCC1
|
C28H45ClN4O4 537.145000 |
PYYMCPCEHVZIBZ-SFLYRZDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434427; PubChem:CID71660195
|
Local ready
Direct docking supported
|
|
E3L055985
BDB055985
|
BDBM50434428
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC1(CO)CCCC1
|
C27H43ClN4O4 523.118000 |
LVTAAFUXHZCJIX-NWSQWKLXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434428; PubChem:CID71660193
|
Local ready
Direct docking supported
|
|
E3L055986
BDB055986
|
BDBM50434429
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)NCC(CC)(CC)CO
|
C27H45ClN4O4 525.134000 |
LVGYOZLQPCBCIB-NWSQWKLXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434429; PubChem:CID71660191
|
Local ready
Direct docking supported
|
|
E3L055987
BDB055987
|
BDBM50434430
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ncccc1C
|
C26H36ClN5O3 502.059000 |
IQIZXIDSFRBNHY-CBQOVEMMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434430; PubChem:CID71660189
|
Local ready
Direct docking supported
|
|
E3L055988
BDB055988
|
BDBM50434431
Cc1cccc(NC(=O)[C@@H](C[C@H](O)[C@@H](N)CN2CC(=O)N(c3ccccc3Cl)CC2(C)C)C(C)C)n1
|
C27H38ClN5O3 516.086000 |
VHBDKZHYKHNEKG-RRPUWOKSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434431; PubChem:CID71660153
|
Local ready
Direct docking supported
|
|
E3L055989
BDB055989
|
BDBM50434432
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1cc(OC)ccn1
|
C26H36ClN5O4 518.058000 |
RBMYKBJTURYGSP-AGHHOFFYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434432; PubChem:CID71660151
|
Local ready
Direct docking supported
|
|
E3L055990
BDB055990
|
BDBM50434433
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ncc(F)cc1F
|
C26H34ClF2N5O3 538.039000 |
OANJQCSHPKVHKG-XJABCFGWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434433; PubChem:CID71660149
|
Local ready
Direct docking supported
|
|
E3L055991
BDB055991
|
BDBM50434434
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cn1
|
C25H33ClFN5O3 506.022000 |
QKTUTYYRRYUCPR-PBEJRMEISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434434; PubChem:CID71660147
|
Local ready
Direct docking supported
|
|
E3L055992
BDB055992
|
BDBM50434435
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cn1
|
C26H35ClFN5O3 520.049000 |
HZBUIXYJBJCFHE-VCOUNFBDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434435; PubChem:CID71660111
|
Local ready
Direct docking supported
|
|
E3L055993
BDB055993
|
BDBM50434436
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1F
|
C27H35ClF2N4O3 537.051000 |
JBHCRIUYMONBCX-XZOYJPPVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434436; PubChem:CID71660109
|
Local ready
Direct docking supported
|
|
E3L055994
BDB055994
|
BDBM50434437
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)c(F)c1
|
C27H35ClF2N4O3 537.051000 |
VBROUQXNVNKODH-OEOAZWSVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434437; PubChem:CID71660107
|
Local ready
Direct docking supported
|
|
E3L055995
BDB055995
|
BDBM50434438
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(OC)cc1
|
C27H37ClN4O4 517.070000 |
YXPBRJOHFAUJQU-OUOWLKGYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434438; PubChem:CID71660067
|
Local ready
Direct docking supported
|
|
E3L055996
BDB055996
|
BDBM50434439
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(C)cc1
|
C27H37ClN4O3 501.071000 |
OYGYLCPBTLZAET-UCFCWBNQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434439; PubChem:CID71660065
|
Local ready
Direct docking supported
|
|
E3L055997
BDB055997
|
BDBM50434440
CC[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1
|
C26H34ClFN4O3 505.034000 |
QJJRRUILCDGYSJ-FHZYATBESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434440; PubChem:CID66645894
|
Local ready
Direct docking supported
|
|
E3L055998
BDB055998
|
BDBM50434441
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccc(F)cc1
|
C27H36ClFN4O3 519.061000 |
OHBBJZGYFZSSDY-SSPYTLHUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434441; PubChem:CID66645492
|
Local ready
Direct docking supported
|
|
E3L055999
BDB055999
|
BDBM50434442
CC(C)[C@H](C[C@H](O)[C@@H](N)CN1CC(=O)N(c2ccccc2Cl)CC1(C)C)C(=O)Nc1ccncc1
|
C26H36ClN5O3 502.059000 |
ZCPCTTGIWPMMDV-RRPUWOKSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434442; PubChem:CID66645837
|
Local ready
Direct docking supported
|
|
E3L056000
BDB056000
|
BDBM50434443
Cc1ccc(F)cc1N1CC(C)(C)N(C[C@H](N)[C@@H](O)C[C@H](C(=O)Nc2cccnc2)C(C)C)CC1=O
|
C27H38FN5O3 499.631000 |
FKOWPCQVGTZLDK-FIXSFTCYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50434443; PubChem:CID71660026
|
Local ready
Direct docking supported
|