| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053581
BDB053581
|
BDBM50350913
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Oc2ccccc2)C1
|
C34H51N3O4 565.799000 |
DDUKMGHQKGRAAG-COTCUIFISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350913; PubChem:CID56679708
|
Local ready
Direct docking supported
|
|
E3L053582
BDB053582
|
BDBM50350914
COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(SC)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)CCO1
|
C29H39ClN2O5S 563.160000 |
AHOVLJGLEXZYRX-NUAALLDYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350914; PubChem:CID56683034
|
Local ready
Direct docking supported
|
|
E3L053583
BDB053583
|
BDBM50350915
COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C(C)C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)CCO1
|
C31H43ClN2O5 559.147000 |
ZWQPLIPZPASJRM-PIBIYZEDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350915; PubChem:CID56683033
|
Local ready
Direct docking supported
|
|
E3L053584
BDB053584
|
BDBM50350916
CCc1cccc(-c2c(Cl)cccc2[C@](O)(CCCCOC)[C@H]2CN(C(=O)[C@H]3C[C@@H](N)[C@@H](O)C3)CCO2)c1
|
C30H41ClN2O5 545.120000 |
VPBFTBGCWRVDOS-QHXQRBBOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350916; PubChem:CID53379391
|
Local ready
Direct docking supported
|
|
E3L053585
BDB053585
|
BDBM50350917
CCc1cccc(-c2c(F)cccc2[C@](O)(CCCCOC)[C@H]2CN(C(=O)[C@H]3C[C@@H](N)[C@@H](O)C3)CCO2)c1
|
C30H41FN2O5 528.665000 |
GINXSGVWXWGOTE-QHXQRBBOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350917; PubChem:CID56669543
|
Local ready
Direct docking supported
|
|
E3L053586
BDB053586
|
BDBM50350918
COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)CCO1
|
C29H39ClN2O5 531.093000 |
OUWZGTHAWCDADK-RWNGQHIQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350918; PubChem:CID56666144
|
Local ready
Direct docking supported
|
|
E3L053587
BDB053587
|
BDBM50350919
COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@H]1CN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)CCO1
|
C29H39FN2O5 514.638000 |
SCFOYWHZASHDOQ-RWNGQHIQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350919; PubChem:CID56659278
|
Local ready
Direct docking supported
|
|
E3L053588
BDB053588
|
BDBM50350920
CC(=O)NCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H40ClN3O4 542.120000 |
JNRVEYYSIZJHIN-OBVJZYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350920; PubChem:CID56662687
|
Local ready
Direct docking supported
|
|
E3L053589
BDB053589
|
BDBM50350921
CC(=O)NCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H40FN3O4 525.665000 |
PPFBHLKNZWHBEA-OBVJZYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350921; PubChem:CID56676376
|
Local ready
Direct docking supported
|
|
E3L053590
BDB053590
|
BDBM50350922
COC(=O)NCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H40ClN3O5 558.119000 |
XMFPYLMRYFHYBN-YWHUKLHMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350922; PubChem:CID56659185
|
Local ready
Direct docking supported
|
|
E3L053591
BDB053591
|
BDBM50350923
COC(=O)NCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H40FN3O5 541.664000 |
DMVULLKTJWOQJO-YWHUKLHMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350923; PubChem:CID56659184
|
Local ready
Direct docking supported
|
|
E3L053592
BDB053592
|
BDBM50350924
COC(=O)NCCO[C@@H](c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C29H38FN3O5 527.637000 |
XYTLPMNVNDXVQL-XDDUCGQKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350924; PubChem:CID56659183
|
Local ready
Direct docking supported
|
|
E3L053593
BDB053593
|
BDBM50350925
COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C29H38Cl2N2O4 549.539000 |
KARUXZXCMYDGFU-YJKPGEFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350925; PubChem:CID56659182
|
Local ready
Direct docking supported
|
|
E3L053594
BDB053594
|
BDBM50350926
COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C29H38ClFN2O4 533.084000 |
GFIUDBVGLJWDQC-YJKPGEFOSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350926; PubChem:CID56666143
|
Local ready
Direct docking supported
|
|
E3L053595
BDB053595
|
BDBM50350927
COCCCC[C@@](O)(c1cccc(Cl)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H41ClN2O4 529.121000 |
PQBIVEGOZLBOPS-OBVJZYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350927; PubChem:CID56669622
|
Local ready
Direct docking supported
|
|
E3L053596
BDB053596
|
BDBM50350928
COCCCC[C@@](O)(c1cc(F)ccc1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H41FN2O4 512.666000 |
MMLIGOAGXFRBBX-SZTMJRGBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350928; PubChem:CID56669542
|
Local ready
Direct docking supported
|
|
E3L053597
BDB053597
|
BDBM50350929
COCCCC[C@@](O)(c1ccc(F)cc1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H41FN2O4 512.666000 |
BOMSLDBQVVCUGK-SZTMJRGBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350929; PubChem:CID56666142
|
Local ready
Direct docking supported
|
|
E3L053598
BDB053598
|
BDBM50350930
COCCCC[C@@](O)(c1cccc(F)c1-c1cccc(C)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H41FN2O4 512.666000 |
RGEAEAPIVOSUPY-OBVJZYNASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350930; PubChem:CID56676375
|
Local ready
Direct docking supported
|
|
E3L053599
BDB053599
|
BDBM50350931
COCCCC[C@@](O)(c1ccccc1-c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C29H39ClN2O4 515.094000 |
RQNRXEBRWCEGDI-PWVCOOSYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350931; PubChem:CID56676374
|
Local ready
Direct docking supported
|
|
E3L053600
BDB053600
|
BDBM50350932
COCCCC[C@@](O)(c1ccccc1-c1ccc(C)cc1)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](N)[C@@H](O)C2)C1
|
C30H42N2O4 494.676000 |
PYNONWMVKITSMU-MMMNJCRCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50350932; PubChem:CID56683032
|
Local ready
Direct docking supported
|