| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043501
BDB043501
|
BDBM50008141
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCc1ccccn1
|
C36H50F2N6O7S 748.894000 |
CCINVPALEJCQHQ-WDJCGXDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008141
|
Local ready
Direct docking supported
|
|
E3L043502
BDB043502
|
BDBM50008142
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H48F2N6O8S 750.866000 |
QSZOFKRNYJCCES-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008142
|
Local ready
Direct docking supported
|
|
E3L043503
BDB043503
|
BDBM50008143
C=CC[C@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)C(=O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H50F2N6O9S 768.881000 |
YXCQESFVPGIRPO-AWCRTANDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008143
|
Local ready
Direct docking supported
|
|
E3L043504
BDB043504
|
BDBM50008144
Nc1nc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)N2CCOCC2)C(=O)N[C@@H](CC2CCCCC2)C(O)C(F)(F)C(=O)NCCN2CCOCC2)cs1
|
C36H54F2N8O8S2 829.006000 |
AWFZFBWKAUOZBA-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008144
|
Local ready
Direct docking supported
|
|
E3L043505
BDB043505
|
BDBM50008145
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H52F2N6O7 718.843000 |
KUUQJUDFHATCIV-DTXPUJKBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008145
|
Local ready
Direct docking supported
|
|
E3L043506
BDB043506
|
BDBM50008146
C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H56F2N6O9S 786.940000 |
VMKHTPDJHSKOJB-WDJCGXDUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008146
|
Local ready
Direct docking supported
|
|
E3L043507
BDB043507
|
BDBM50008147
C=CC[C@H](NC(=O)[C@H](Cc1ccc(OC)cc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H54F2N6O9S 784.924000 |
NCFJRHKEYXNDMF-CHQNGUEUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008147
|
Local ready
Direct docking supported
|
|
E3L043508
BDB043508
|
BDBM50008148
CCCO[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H56F2N6O9S 774.929000 |
DWJLWZMNUKFHOF-RRZOSISZSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008148
|
Local ready
Direct docking supported
|
|
E3L043509
BDB043509
|
BDBM50008149
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC[C@@H](C)SCC
|
C34H51F2N5O7S2 743.940000 |
PDQJGVKVBJRGKU-KHUDPXOFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008149
|
Local ready
Direct docking supported
|
|
E3L043510
BDB043510
|
BDBM50008150
O=C(CNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C32H50F2N6O8S 716.849000 |
VUTOFVCGSQQWKC-DARYULOESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50008150; PubChem:CID44278755
|
Local ready
Direct docking supported
|
|
E3L043511
BDB043511
|
BDBM50008151
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1cccnc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C39H52F2N6O6 738.877000 |
RYIXIUHRDBEHJF-ZDCRTTOTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008151
|
Local ready
Direct docking supported
|
|
E3L043512
BDB043512
|
BDBM50008152
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NC[C@@H](C)CC
|
C39H60F2N6O8S 811.006000 |
MNARPUVTMSONDZ-QJANCWQKSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008152
|
Local ready
Direct docking supported
|
|
E3L043513
BDB043513
|
BDBM50008153
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H54F2N6O7 720.859000 |
NZZFIZGHHHMVHM-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008153
|
Local ready
Direct docking supported
|
|
E3L043514
BDB043514
|
BDBM50008154
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCNCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H55F2N7O7S 755.930000 |
CQXWWSJOBHMVPI-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008154
|
Local ready
Direct docking supported
|
|
E3L043515
BDB043515
|
BDBM50008155
C=CC[C@H](NC(=O)[C@@H](NS(=O)(=O)N1CCOCC1)C(O)c1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H54F2N6O9S 772.913000 |
GNIIVXQGFBZGAC-VUTLOQLPSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008155
|
Local ready
Direct docking supported
|
|
E3L043516
BDB043516
|
BDBM50008156
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NCCN1CCOCC1
|
C35H54F2N6O8S 756.914000 |
PVHMTQKFPXCDJQ-PFDUYEAOSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008156
|
Local ready
Direct docking supported
|
|
E3L043517
BDB043517
|
BDBM50008157
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NC[C@@H](C)CC
|
C39H62F2N6O8S 813.022000 |
XEJQSPNBNGMTCS-CVQLGRIRSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008157
|
Local ready
Direct docking supported
|
|
E3L043518
BDB043518
|
BDBM50008158
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)NC[C@@H](C)SCC
|
C34H53F2N5O7S2 745.956000 |
CDQOVMFJRXQYFK-WRKOCOQLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008158
|
Local ready
Direct docking supported
|
|
E3L043519
BDB043519
|
BDBM50008160
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)C(=O)C(F)(F)C(=O)NCCN1CCOCC1
|
C36H53F2N5O7 705.844000 |
JPMKMPAXJXWYBK-AWCRTANDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50008160
|
Local ready
Direct docking supported
|
|
E3L043520
BDB043520
|
BDBM50008161
C=CC[C@H](NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)C(O)C(F)(F)C(=O)OCC
|
C31H46F2N4O8S 672.792000 |
RMVGKCQDVNQSGV-QPWGPPCNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50008161; PubChem:CID44278937
|
Local ready
Direct docking supported
|