| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L052761
BDB052761
|
BDBM50328851
CNCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H40Cl3N3O3 645.071000 |
CUTKYKYSCGXEOF-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328851; PubChem:CID12001872
|
Local ready
Direct docking supported
|
|
E3L052762
BDB052762
|
BDBM50328852
COCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H39Cl3N2O4 646.055000 |
LANNZQCALHSARO-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328852; PubChem:CID12001784
|
Local ready
Direct docking supported
|
|
E3L052763
BDB052763
|
BDBM50328853
COCCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H41Cl3N2O4 660.082000 |
RDCUZWVELSAOBC-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328853; PubChem:CID12001783
|
Local ready
Direct docking supported
|
|
E3L052764
BDB052764
|
BDBM50328854
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1
|
C33H38Cl2N2O3 581.584000 |
PEFPYUBFXFOFOB-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328854; PubChem:CID12001701
|
Local ready
Direct docking supported
|
|
E3L052765
BDB052765
|
BDBM50328855
CC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O4 673.081000 |
YTMFZHXRZWNDFQ-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328855; PubChem:CID12001954
|
Local ready
Direct docking supported
|
|
E3L052766
BDB052766
|
BDBM50328856
CNC(=O)CCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O4 673.081000 |
OBZVMSKEVPNTKM-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328856; PubChem:CID52940639
|
Local ready
Direct docking supported
|
|
E3L052767
BDB052767
|
BDBM50328857
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CCNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C36H39Cl3F3N3O4 741.078000 |
VETZEDDIBGTLQT-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328857; PubChem:CID12001952
|
Local ready
Direct docking supported
|
|
E3L052768
BDB052768
|
BDBM50328858
CCNC(=O)Cc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O4 673.081000 |
TVMDRXNOEWPGJS-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328858; PubChem:CID52944247
|
Local ready
Direct docking supported
|
|
E3L052769
BDB052769
|
BDBM50328859
CC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H38Cl3N3O4 659.054000 |
SJSGQQBOEMCRGY-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328859; PubChem:CID12001871
|
Local ready
Direct docking supported
|
|
E3L052770
BDB052770
|
BDBM50328860
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC(=O)CC(F)(F)F)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C35H37Cl3F3N3O4 727.051000 |
GEBGDXKEDPYHHN-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328860; PubChem:CID12001869
|
Local ready
Direct docking supported
|
|
E3L052771
BDB052771
|
BDBM50328861
COC(=O)NCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H38Cl3N3O5 675.053000 |
LUCJQRCTXXOATA-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328861; PubChem:CID52941838
|
Local ready
Direct docking supported
|
|
E3L052772
BDB052772
|
BDBM50328862
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)cn1
|
C34H40Cl3N3O4 661.070000 |
SVSUEWKNQNMUNQ-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328862; PubChem:CID24742640
|
Local ready
Direct docking supported
|
|
E3L052773
BDB052773
|
BDBM50328863
COCCCc1ccc(Cl)c(CN(C(=O)C2=C(c3ccc(OCCOc4c(Cl)cc(C)cc4Cl)cc3)CCNC2)C2CC2)c1
|
C35H39Cl3N2O4 658.066000 |
JQBFVGQINSZSAW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328863; PubChem:CID52949146
|
Local ready
Direct docking supported
|
|
E3L052774
BDB052774
|
BDBM50328865
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-MYVCOICNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328865; PubChem:CID24744682
|
Local ready
Direct docking supported
|
|
E3L052775
BDB052775
|
BDBM50328866
Cc1cc(Cl)c(OCCOc2ccc(C3(O)CCNCC3C(=O)N(Cc3cccc(C)c3C)C3CC3)cc2)c(Cl)c1
|
C33H38Cl2N2O4 597.583000 |
BUELDWWCLYPLID-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328866; PubChem:CID52949379
|
Local ready
Direct docking supported
|
|
E3L052776
BDB052776
|
BDBM50328867
COCCCc1cc(CN(C(=O)C2CNCCC2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c(Cl)c[n+]1[O-]
|
C34H40Cl3N3O5 677.069000 |
XRZNDNRJEXKCKQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328867; PubChem:CID52945476
|
Local ready
Direct docking supported
|
|
E3L052777
BDB052777
|
BDBM50328868
CNC(=O)OCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O5 689.080000 |
FYSLFQAQQSPKHF-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328868; PubChem:CID52949145
|
Local ready
Direct docking supported
|
|
E3L052778
BDB052778
|
BDBM50328869
COC(=O)NCCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C35H40Cl3N3O5 689.080000 |
DXIHHYGCYWJWCF-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328869; PubChem:CID52944248
|
Local ready
Direct docking supported
|
|
E3L052779
BDB052779
|
BDBM50328870
CNC(=O)OCc1ccc(Cl)c(CN(C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)c1
|
C34H38Cl3N3O5 675.053000 |
YPXANVFPIODKKT-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328870; PubChem:CID52941837
|
Local ready
Direct docking supported
|
|
E3L052780
BDB052780
|
BDBM50328871
Cc1cc(Cl)c(OCCOc2ccc([C@H]3CCNC[C@@H]3C(=O)N(Cc3cc(CNC(=O)C4CC4)ccc3Cl)C3CC3)cc2)c(Cl)c1
|
C36H40Cl3N3O4 685.092000 |
PEYSYYWOEPQTDT-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50328871; PubChem:CID52949144
|
Local ready
Direct docking supported
|