| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047401
BDB047401
|
BDBM50173059
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cc(F)cc(F)c2)cc1
|
C29H32F2N2O5 526.580000 |
GIUSHVKXCZMRTP-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173059; PubChem:CID44402889
|
Local ready
Direct docking supported
|
|
E3L047402
BDB047402
|
BDBM50173060
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccc2OC)cc1
|
C30H36N2O6 520.626000 |
BUOGIJKSFWTRTG-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173060; PubChem:CID44402891
|
Local ready
Direct docking supported
|
|
E3L047403
BDB047403
|
BDBM50173061
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C#N)c2)cc1
|
C30H33N3O5 515.610000 |
GVFGOTKMKZILQM-HHHXNRCGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173061; PubChem:CID44402890
|
Local ready
Direct docking supported
|
|
E3L047404
BDB047404
|
BDBM50173062
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccncc2)cc1
|
C28H33N3O5 491.588000 |
OHZGACXPQOZCJF-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173062; PubChem:CID44402932
|
Local ready
Direct docking supported
|
|
E3L047405
BDB047405
|
BDBM50173063
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(Cl)c2)cc1
|
C29H32Cl2N2O5 559.490000 |
OWXOUKWUYWQYMJ-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173063; PubChem:CID44402910
|
Local ready
Direct docking supported
|
|
E3L047406
BDB047406
|
BDBM50173064
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COCc2ccc(F)cc2)cc1
|
C29H33FN2O5 508.590000 |
HIEBQOVZTSFULV-SANMLTNESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173064; PubChem:CID44402917
|
Local ready
Direct docking supported
|
|
E3L047407
BDB047407
|
BDBM50173065
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1
|
C28H33N3O5 491.588000 |
WPYDZJMOARSIDS-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173065; PubChem:CID11375292
|
Local ready
Direct docking supported
|
|
E3L047408
BDB047408
|
BDBM50173066
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C)c2)cc1
|
C30H36N2O5 504.627000 |
HWRBHLIDFCYLEV-HHHXNRCGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173066; PubChem:CID44402907
|
Local ready
Direct docking supported
|
|
E3L047409
BDB047409
|
BDBM50173067
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cc(Cl)cc(Cl)c2)cc1
|
C29H32Cl2N2O5 559.490000 |
DCPAXQQJNAEXJW-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173067; PubChem:CID44402911
|
Local ready
Direct docking supported
|
|
E3L047410
BDB047410
|
BDBM50173068
COc1ccc(COC[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)cc1
|
C30H36N2O6 520.626000 |
RPPIEVXPNKPCMK-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173068; PubChem:CID44402898
|
Local ready
Direct docking supported
|
|
E3L047411
BDB047411
|
BDBM50173069
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1
|
C30H32ClF3N2O5 593.042000 |
BCCRJSQTEBENFE-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173069; PubChem:CID11273357
|
Local ready
Direct docking supported
|
|
E3L047412
BDB047412
|
BDBM50173070
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccccc2)cc1
|
C29H34N2O5 490.600000 |
CDEOHGORVINGIT-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173070; PubChem:CID44402896
|
Local ready
Direct docking supported
|
|
E3L047413
BDB047413
|
BDBM50173071
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)cc2)cc1
|
C29H33ClN2O5 525.045000 |
KREKZWAGWSSHGO-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173071; PubChem:CID44402902
|
Local ready
Direct docking supported
|
|
E3L047414
BDB047414
|
BDBM50173072
COc1cccc(COC[C@H]2CNCC(=O)N2c2ccc(OCCCOCc3ccccc3OC)cc2)c1
|
C30H36N2O6 520.626000 |
ZLKWCCYKVALKCV-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173072; PubChem:CID44402892
|
Local ready
Direct docking supported
|
|
E3L047415
BDB047415
|
BDBM50173073
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(C)cc2)cc1
|
C30H36N2O5 504.627000 |
WLFMZZQNYNKPTI-HHHXNRCGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173073; PubChem:CID44402900
|
Local ready
Direct docking supported
|
|
E3L047416
BDB047416
|
BDBM50173074
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(C(F)(F)F)c2)cc1
|
C30H33F3N2O5 558.597000 |
XNTIPHOHXROUDR-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173074; PubChem:CID44402908
|
Local ready
Direct docking supported
|
|
E3L047417
BDB047417
|
BDBM50173075
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccc(OC(F)(F)F)c2)cc1
|
C30H33F3N2O6 574.596000 |
XITDJHAGQJZLKV-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173075; PubChem:CID44402906
|
Local ready
Direct docking supported
|
|
E3L047418
BDB047418
|
BDBM50173076
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)c(C(F)(F)F)c2)cc1
|
C30H32F4N2O5 576.587000 |
MUCLFAUMYUHFOS-XMMPIXPASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173076; PubChem:CID44402912
|
Local ready
Direct docking supported
|
|
E3L047419
BDB047419
|
BDBM50173077
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(F)cc2Cl)cc1
|
C29H32ClFN2O5 543.035000 |
YTWPNMBYOAHYMX-RUZDIDTESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173077; PubChem:CID44402905
|
Local ready
Direct docking supported
|
|
E3L047420
BDB047420
|
BDBM50173078
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(C)c(Cl)c2)cc1
|
C30H35ClN2O5 539.072000 |
QQURHVSYCUIBEE-AREMUKBSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50173078; PubChem:CID44402914
|
Local ready
Direct docking supported
|