| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043601
BDB043601
|
BDBM50009892
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCNC(C)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C43H56N4O5 708.944000 |
SKRZRECZDMXZDK-KGLGIREHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009892; PubChem:CID44458557
|
Local ready
Direct docking supported
|
|
E3L043602
BDB043602
|
BDBM50009893
CC(C)CC(NC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NCc1ccccc1
|
C59H71N5O7 962.245000 |
ORLMTONKIPTWBR-MDMMRTEFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009893
|
Local ready
Direct docking supported
|
|
E3L043603
BDB043603
|
BDBM50009894
N=C(NCC#CCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1)N[N+](=O)[O-]
|
C48H60N8O7 861.057000 |
NBTFDIRGPYGYED-KZJGJEHLSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009894
|
Local ready
Direct docking supported
|
|
E3L043604
BDB043604
|
BDBM50009895
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)C(F)(F)C(=O)N1CCOC(CCN)C1
|
C46H60F2N6O5S 847.086000 |
ZRRTXYZBNRRMDM-KFKRJCRXSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009895
|
Local ready
Direct docking supported
|
|
E3L043605
BDB043605
|
BDBM50009896
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNS(=O)(=O)c1ccc(C)cc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C50H64N4O6S 849.151000 |
NNQODUOMNQJFAW-QYCYOEPQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009896
|
Local ready
Direct docking supported
|
|
E3L043606
BDB043606
|
BDBM50009897
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(N)=O)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C44H59N5O5 737.986000 |
KKUQWVRSCCUOLF-QYGLOMESSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009897; PubChem:CID44458712
|
Local ready
Direct docking supported
|
|
E3L043607
BDB043607
|
BDBM50009898
CSC(=NC#N)NCCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C42H62N8O7S 823.074000 |
YJWJAXTZTQKQNU-NVEBAKFBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009898
|
Local ready
Direct docking supported
|
|
E3L043608
BDB043608
|
BDBM50009899
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C43H53N5O4 703.928000 |
SHGYNXXABXGXNI-KGLGIREHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009899; PubChem:CID44458609
|
Local ready
Direct docking supported
|
|
E3L043609
BDB043609
|
BDBM50009900
CC(C)CC(NC(=O)C(CCCCNC(=O)OCc1ccccc1)NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)C(F)(F)C(=O)N1CCOC(CCN)C1
|
C41H59F2N7O10S 880.025000 |
BDLMJZOINZIDFC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009900
|
Local ready
Direct docking supported
|
|
E3L043610
BDB043610
|
BDBM50009901
CNC(=S)NCCCCC(NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C46H62N6O5S 811.106000 |
QJWWZBWMLPVXMI-WHIWUVKUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009901
|
Local ready
Direct docking supported
|
|
E3L043611
BDB043611
|
BDBM50009902
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=O)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H61N5O5 752.013000 |
RSHCEXBSILQCNN-PASJKQFYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009902; PubChem:CID44458558
|
Local ready
Direct docking supported
|
|
E3L043612
BDB043612
|
BDBM50009903
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C47H65N5O4S 796.135000 |
IJLPESOCTZSAGM-ZVRNFFRTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009903
|
Local ready
Direct docking supported
|
|
E3L043613
BDB043613
|
BDBM50009904
CC(C)(C)OC(=O)NCC#CCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C41H65N7O10S 848.077000 |
SXFAEWBJAIBIKA-KSTNAVJUSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009904
|
Local ready
Direct docking supported
|
|
E3L043614
BDB043614
|
BDBM50009905
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H61N5O4S 768.081000 |
FSGCSGPTSJSHHI-PASJKQFYSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009905
|
Local ready
Direct docking supported
|
|
E3L043615
BDB043615
|
BDBM50009906
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCCNC(=S)Nc1ccccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C50H63N5O4S 830.152000 |
DUDPOYHKMGZDET-PXUJLEEASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009906
|
Local ready
Direct docking supported
|
|
E3L043616
BDB043616
|
BDBM50009907
CNC(=S)NCCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC(C)C)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C41H63N7O7S 798.064000 |
OVKAUXLVRGDPOY-RCIWBYGCSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009907
|
Local ready
Direct docking supported
|
|
E3L043617
BDB043617
|
BDBM50009908
CNC(=S)NCCCCC(NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12)C(=O)NC(CC1CCCCC1)[C@@H](O)CC(=O)N1CCOC(CCN)C1
|
C44H67N7O7S 838.129000 |
SXLDCLYSLPCGLH-ZTEYQQFFSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009908
|
Local ready
Direct docking supported
|
|
E3L043618
BDB043618
|
BDBM50009909
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(C/C=C/CNC(=S)NC)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C45H59N5O4S 766.065000 |
NUFSUUXLIBUNRN-GANYHWIASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009909
|
Local ready
Direct docking supported
|
|
E3L043619
BDB043619
|
BDBM50009910
CCC(C)CNC(=O)C[C@H](O)C(CC(C)C)NC(=O)C(CCCn1cccc1)NC(=O)C(Cc1cccc2ccccc12)Cc1cccc2ccccc12
|
C46H58N4O4 730.994000 |
CPSOBBIPRDHWCX-ZVRNFFRTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50009910; PubChem:CID44458716
|
Local ready
Direct docking supported
|
|
E3L043620
BDB043620
|
BDBM50009911
CNC(=S)NCCCCC(NC(=O)C(Cc1ccccc1)NS(=O)(=O)N1CCOCC1)C(=O)NC(CC1CCCCC1)[C@H](O)C(F)(F)C(=O)N1CCOC(CCN)C1
|
C38H62F2N8O8S2 861.092000 |
KANGMEUNRFEJHT-HUFZRYMBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50009911
|
Local ready
Direct docking supported
|