| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056801
BDB056801
|
BDBM50451319
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC(O)CNC)C2)c1
|
C30H42FN3O5 543.680000 |
FWSYQZYECHPKKP-QFYHAUMRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451319; PubChem:CID59620461
|
Local ready
Direct docking supported
|
|
E3L056802
BDB056802
|
BDBM50451320
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC(O)CN)C2)c1
|
C29H40FN3O5 529.653000 |
IIIBTAZKWKWKNG-HFSRXPFLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451320; PubChem:CID145974673
|
Local ready
Direct docking supported
|
|
E3L056803
BDB056803
|
BDBM50451321
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCNC)C2)c1
|
C30H42ClN3O4 544.136000 |
HQNKORJDDYUHBN-DDAUYOFQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451321; PubChem:CID145964789
|
Local ready
Direct docking supported
|
|
E3L056804
BDB056804
|
BDBM50451322
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@H]3C[C@@H](N)[C@@H](O)C3)C2)c1
|
C31H42ClN3O5 572.146000 |
ABUVEJWOEGTUKX-GFQGUXPNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451322; PubChem:CID68417067
|
Local ready
Direct docking supported
|
|
E3L056805
BDB056805
|
BDBM50451323
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCCCN)C2)c1
|
C31H44FN3O4 541.708000 |
RJCONYSMTQWQBS-KZQYXEPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451323; PubChem:CID145972774
|
Local ready
Direct docking supported
|
|
E3L056806
BDB056806
|
BDBM50451324
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCN)C2)c1
|
C28H38FN3O4 499.627000 |
AMFATTWGQOSGRT-WZOMIXFGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451324; PubChem:CID145965322
|
Local ready
Direct docking supported
|
|
E3L056807
BDB056807
|
BDBM50451325
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCN)C2)c1
|
C29H40FN3O4 513.654000 |
ROVHNWIVSDDVQC-WIZGVZBGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451325; PubChem:CID59620422
|
Local ready
Direct docking supported
|
|
E3L056808
BDB056808
|
BDBM50451326
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@@H](N)CO)C2)c1
|
C30H42FN3O5 543.680000 |
JNWFRGOWDLWQQW-JGTWLXFQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451326; PubChem:CID145974180
|
Local ready
Direct docking supported
|
|
E3L056809
BDB056809
|
BDBM50451327
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@@H](O)CCN)C2)c1
|
C29H40FN3O5 529.653000 |
LJYSDXPCOJVQRZ-VFEGMVRJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451327; PubChem:CID145976587
|
Local ready
Direct docking supported
|
|
E3L056810
BDB056810
|
BDBM50451328
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC3CCNCC3)C2)c1
|
C32H44FN3O4 553.719000 |
WBSHAODYCYXPAY-PSPFREQMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451328; PubChem:CID145963888
|
Local ready
Direct docking supported
|
|
E3L056811
BDB056811
|
BDBM50451329
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC3CCCNC3)C2)c1
|
C32H44FN3O4 553.719000 |
HBNZGEQYLPFQNN-DWFCJCDYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451329; PubChem:CID145963926
|
Local ready
Direct docking supported
|
|
E3L056812
BDB056812
|
BDBM50451330
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)NCCNC)C2)c1
|
C29H41FN4O4 528.669000 |
JYDZXHPYSHSZFS-WIZGVZBGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451330; PubChem:CID91349601
|
Local ready
Direct docking supported
|
|
E3L056813
BDB056813
|
BDBM50451331
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCCN)C2)c1
|
C30H42FN3O4 527.681000 |
AGBTXTCHHBIZAM-DDAUYOFQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451331; PubChem:CID145973086
|
Local ready
Direct docking supported
|
|
E3L056814
BDB056814
|
BDBM50451332
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CC[C@H](N)C(=O)O)C2)c1
|
C30H40FN3O6 557.663000 |
UFXGOSJSEDBXGF-LLNJOTLQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451332; PubChem:CID59620428
|
Local ready
Direct docking supported
|
|
E3L056815
BDB056815
|
BDBM50451333
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)CCCN(C)C)C2)c1
|
C31H44FN3O4 541.708000 |
WCDPSRJZKOXEJJ-KZQYXEPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451333; PubChem:CID145963758
|
Local ready
Direct docking supported
|
|
E3L056816
BDB056816
|
BDBM50451334
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C[C@H](O)CN)C2)c1
|
C29H40FN3O5 529.653000 |
IIIBTAZKWKWKNG-NIMHCUBFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451334; PubChem:CID145967479
|
Local ready
Direct docking supported
|
|
E3L056817
BDB056817
|
BDBM50451335
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C3CNCCO3)C2)c1
|
C30H40FN3O5 541.664000 |
OHJBZDMXQLCKAS-HTLWMSKYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451335; PubChem:CID145963959
|
Local ready
Direct docking supported
|
|
E3L056818
BDB056818
|
BDBM50451336
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)C3CCNC3)C2)c1
|
C30H40FN3O4 525.665000 |
OXDIFELKPGOSBU-OLYGOTPTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451336; PubChem:CID145964950
|
Local ready
Direct docking supported
|
|
E3L056819
BDB056819
|
BDBM50451337
CCc1cccc(-c2c(F)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](N)C3)C2)c1
|
C31H42FN3O4 539.692000 |
OHJSSMZLPUXQMI-RLWNMZDESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451337; PubChem:CID68412618
|
Local ready
Direct docking supported
|
|
E3L056820
BDB056820
|
BDBM50451338
CCc1cccc(-c2c(Cl)cccc2C(O)(CCCNC(=O)OC)[C@@H]2CCCN(C(=O)[C@@H]3CC[C@H](NC)C3)C2)c1
|
C32H44ClN3O4 570.174000 |
FSZQGXXDUQSWMB-XWJZKXARSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50451338; PubChem:CID145977447
|
Local ready
Direct docking supported
|