| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050101
BDB050101
|
BDBM50259431
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(C)c3C)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C39H47N3O5 637.821000 |
OOKWAKNAKCWKGD-BNHMMOKISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259431; PubChem:CID44158198
|
Local ready
Direct docking supported
|
|
E3L050102
BDB050102
|
BDBM50259432
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C37H41Cl2N3O5 678.657000 |
AXCYHHQCCRMLSZ-LHXZUMEBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259432; PubChem:CID44158276
|
Local ready
Direct docking supported
|
|
E3L050103
BDB050103
|
BDBM50259433
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(OC)c3C)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C39H47N3O6 653.820000 |
IPORYFWZTGTXGH-CYEXUTLASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259433
|
Local ready
Direct docking supported
|
|
E3L050104
BDB050104
|
BDBM50259434
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccnc(C)c3OC)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C38H46N4O6 654.808000 |
VQYLCVNQBKRMMH-KAODMTDESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259434
|
Local ready
Direct docking supported
|
|
E3L050105
BDB050105
|
BDBM50259435
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccccc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H37Cl2N3O3 618.605000 |
WAMZPADKKRSGLD-WXGMZPBLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259435; PubChem:CID44158064
|
Local ready
Direct docking supported
|
|
E3L050106
BDB050106
|
BDBM50259436
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccccc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H36Cl3N3O3 653.050000 |
PFZAERRMLXHUIP-MXBOTTGLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259436; PubChem:CID44158065
|
Local ready
Direct docking supported
|
|
E3L050107
BDB050107
|
BDBM50259437
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cccc(Cl)c4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H36Cl3N3O3 653.050000 |
OFJBQMHKYNWMTQ-WXGMZPBLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259437; PubChem:CID44158119
|
Local ready
Direct docking supported
|
|
E3L050108
BDB050108
|
BDBM50259438
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4ccc(Cl)cc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H36Cl3N3O3 653.050000 |
YUJFYANTHSRLTJ-WXGMZPBLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259438; PubChem:CID44158066
|
Local ready
Direct docking supported
|
|
E3L050109
BDB050109
|
BDBM50259439
COc1ccccc1OCCCc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C36H39Cl2N3O4 648.631000 |
YCWGQZAZVGUKDL-DLFZDVPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259439; PubChem:CID44158067
|
Local ready
Direct docking supported
|
|
E3L050110
BDB050110
|
BDBM50259440
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4cc(F)ccc4Br)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H35BrCl2FN3O3 715.491000 |
KJHSVFMUVAEJEB-MXBOTTGLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259440; PubChem:CID44158120
|
Local ready
Direct docking supported
|
|
E3L050111
BDB050111
|
BDBM50259441
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(Cl)cc(C)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C36H37Cl4N3O3 701.522000 |
WHPOWHLJYXCXKJ-HVIPQOSHSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259441
|
Local ready
Direct docking supported
|
|
E3L050112
BDB050112
|
BDBM50259442
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(Cl)cc(F)cc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H34Cl4FN3O3 705.485000 |
ZSHVADVPUORESR-OOWIMERYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259442
|
Local ready
Direct docking supported
|
|
E3L050113
BDB050113
|
BDBM50259443
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H34Cl2F3N3O3 672.575000 |
WMFNFSJADWVQPN-AYWVHJORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259443; PubChem:CID10462142
|
Local ready
Direct docking supported
|
|
E3L050114
BDB050114
|
BDBM50259444
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(Cl)c4F)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H34Cl3F2N3O3 689.030000 |
IDGOEPUFYGIVCK-AYWVHJORSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259444
|
Local ready
Direct docking supported
|
|
E3L050115
BDB050115
|
BDBM50259445
CC(=O)N1C[C@H]2CC(c3ccc(CCCOc4c(F)ccc(F)c4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C35H34Cl3F2N3O3 689.030000 |
RYSYSMTZIBDICU-AYWVHJORSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259445
|
Local ready
Direct docking supported
|
|
E3L050116
BDB050116
|
BDBM50259446
CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccccc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C34H35Cl2N3O4 620.577000 |
BLWPBSFUNSFUOR-OOWIMERYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259446; PubChem:CID44158127
|
Local ready
Direct docking supported
|
|
E3L050117
BDB050117
|
BDBM50259447
CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccccc4Cl)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C34H34Cl3N3O4 655.022000 |
SIKYHAPPOORUGU-AYWVHJORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259447; PubChem:CID44158193
|
Local ready
Direct docking supported
|
|
E3L050118
BDB050118
|
BDBM50259448
CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4cccc(Cl)c4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C34H34Cl3N3O4 655.022000 |
BXAKUXREXCPLKX-OOWIMERYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259448; PubChem:CID44158128
|
Local ready
Direct docking supported
|
|
E3L050119
BDB050119
|
BDBM50259449
CC(=O)N1C[C@H]2CC(c3ccc(OCCOc4ccc(Cl)cc4)cc3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@@H](C1)N2
|
C34H34Cl3N3O4 655.022000 |
XQBZZIGBQVDWRD-OOWIMERYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259449; PubChem:CID44158194
|
Local ready
Direct docking supported
|
|
E3L050120
BDB050120
|
BDBM50259450
COc1ccccc1OCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C35H37Cl2N3O5 650.603000 |
NUSQKZNDRMDGCK-FYBSXPHGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259450; PubChem:CID44158199
|
Local ready
Direct docking supported
|