| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052781
BDB052781
|
BDBM50328872
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CC(=O)NC4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C36H40Cl3N3O4 685.092000 |
NGXOTJYIJHGGPZ-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328872; PubChem:CID52940640
|
Local ready
Direct docking supported
|
|
E3L052782
BDB052782
|
BDBM50328873
CCC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O4 673.081000 |
UTYQSDDNHNQDOZ-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328873; PubChem:CID52946688
|
Local ready
Direct docking supported
|
|
E3L052783
BDB052783
|
BDBM50328874
CNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H38Cl3N3O4 659.054000 |
FWJNQLUVJYSKHC-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328874; PubChem:CID52941836
|
Local ready
Direct docking supported
|
|
E3L052784
BDB052784
|
BDBM50328875
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNC(=O)COC(C)(C)C)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C39H48Cl3N3O5 745.188000 |
OBOZEGCBQIGQOO-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328875; PubChem:CID52941835
|
Local ready
Direct docking supported
|
|
E3L052785
BDB052785
|
BDBM50328876
COCCc1ccc(Cl)c(CN(C(=O)[C@@H]2CNCC[C@@]2(O)c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H39Cl3N2O5 662.054000 |
XQJYPYVXYANJRR-IPZQJPLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328876; PubChem:CID52945477
|
Local ready
Direct docking supported
|
|
E3L052786
BDB052786
|
BDBM50328904
COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1
|
C34H40Cl3N3O4 661.070000 |
GFFWLUQHUNXNNR-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328904; PubChem:CID11963989
|
Local ready
Direct docking supported
|
|
E3L052787
BDB052787
|
Act-178882
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1
|
C33H38Cl3N3O4 647.043000 |
PGSRKJVMAOWDEC-SXOMAYOGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328905; PubChem:CID12001785
|
Local ready
Direct docking supported
|
|
E3L052788
BDB052788
|
BDBM50328906
CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1
|
C34H39Cl3N4O4 674.069000 |
XLGOYEKHMOPYTH-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328906; PubChem:CID52946691
|
Local ready
Direct docking supported
|
|
E3L052789
BDB052789
|
BDBM50328907
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cn2)c(Cl)c1
|
C34H36Cl3F3N4O4 728.039000 |
GZQYUIFEHOFDNJ-FTJBHMTQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328907
|
Local ready
Direct docking supported
|
|
E3L052790
BDB052790
|
BDBM50328908
COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c1
|
C33H37Cl3N4O5 676.041000 |
XYLTVVBRHCPAHD-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328908; PubChem:CID52943065
|
Local ready
Direct docking supported
|
|
E3L052791
BDB052791
|
BDBM50328909
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)cn1
|
C33H39Cl3N4O4 662.058000 |
GPRLYCHBUQXMSR-SXOMAYOGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328909; PubChem:CID52941842
|
Local ready
Direct docking supported
|
|
E3L052792
BDB052792
|
BDBM50328910
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)nc2)C2CC2)c(Cl)c[n+]1[O-]
|
C33H39Cl3N4O5 678.057000 |
QFAZSNXTORHKQD-SXOMAYOGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328910
|
Local ready
Direct docking supported
|
|
E3L052793
BDB052793
|
BDBM50328911
CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1
|
C36H36Cl2F2N4O4 697.610000 |
WKHIDHNNVJPHCG-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328911; PubChem:CID24743241
|
Local ready
Direct docking supported
|
|
E3L052794
BDB052794
|
BDBM50328912
COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1
|
C36H37Cl2F2N3O4 684.611000 |
BIWLWXCWEBBLDR-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328912; PubChem:CID24742297
|
Local ready
Direct docking supported
|
|
E3L052795
BDB052795
|
BDBM50328913
COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c1
|
C35H34Cl2F2N4O5 699.582000 |
KHSXQDCDBJMHDO-SXOMAYOGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328913; PubChem:CID52945479
|
Local ready
Direct docking supported
|
|
E3L052796
BDB052796
|
BDBM50328914
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)cc2)C2CC2)c(Cl)cn1
|
C35H36Cl2F2N4O4 685.599000 |
JDFZHZWLKIKACK-IZLXSDGUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328914
|
Local ready
Direct docking supported
|
|
E3L052797
BDB052797
|
BDBM50328915
COCCCc1cc(CN(C(=O)C2CNCCC2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)[n-][o+]3)cc2)C2CC2)c(Cl)c[n+]1[O-]
|
C35H36Cl2F2N4O5 701.598000 |
VRGWNMGTTZRHNU-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328915
|
Local ready
Direct docking supported
|
|
E3L052798
BDB052798
|
BDBM50328916
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c1
|
C34H34Cl2F2N4O4 671.572000 |
NWBHPVPAOTWCAU-FTJBHMTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328916; PubChem:CID52946692
|
Local ready
Direct docking supported
|
|
E3L052799
BDB052799
|
BDBM50328917
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)cn1
|
C34H35Cl2F2N5O4 686.587000 |
BKQJJWLNWLFDGH-FTJBHMTQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328917
|
Local ready
Direct docking supported
|
|
E3L052800
BDB052800
|
BDBM50328918
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCc3cc(-c4c(F)ccc(F)c4Cl)no3)nc2)C2CC2)c(Cl)c[n+]1[O-]
|
C34H35Cl2F2N5O5 702.586000 |
UWLUSIMCHSRWEH-FTJBHMTQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50328918
|
Local ready
Direct docking supported
|