| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045401
BDB045401
|
BDBM50077684
O=C(OCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1
|
C30H30N2O4 482.580000 |
GTSLCYHNKKYWIT-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077684; PubChem:CID44279543
|
Local ready
Direct docking supported
|
|
E3L045402
BDB045402
|
BDBM50077685
COc1cccc(C(=O)OCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)c1
|
C31H31NO4 481.592000 |
ASQMFMQEQUQENN-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077685; PubChem:CID44278950
|
Local ready
Direct docking supported
|
|
E3L045403
BDB045403
|
BDBM50077686
COc1ccc(CO[C@H]2CNCC[C@@H]2c2ccc(Cl)cc2)cc1
|
C19H22ClNO2 331.843000 |
BIPGSFPDFZLUIK-MOPGFXCFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077686; PubChem:CID44279227
|
Local ready
Direct docking supported
|
|
E3L045404
BDB045404
|
BDBM50077687
c1ccc(COCCCOCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C33H37NO3 495.663000 |
DTKHBDWLVRZIQF-SAIUNTKASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077687; PubChem:CID44278947
|
Local ready
Direct docking supported
|
|
E3L045405
BDB045405
|
BDBM50077688
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccccc3c2)cc1
|
C33H37NO4 511.662000 |
AZFBFLIHJUFRQE-VTIYRKAUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077688; PubChem:CID44279009
|
Local ready
Direct docking supported
|
|
E3L045406
BDB045406
|
BDBM50077689
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C32H35NO3 481.636000 |
SBQHXMHGXWOGFR-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077689; PubChem:CID44602422
|
Local ready
Direct docking supported
|
|
E3L045407
BDB045407
|
BDBM50077690
c1ccc(COCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C31H33NO3 467.609000 |
GJILJTBTLYHBPL-JSOSNVBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077690; PubChem:CID44278979
|
Local ready
Direct docking supported
|
|
E3L045408
BDB045408
|
BDBM50077691
c1ccc(COCCOCc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C32H35NO3 481.636000 |
BWJJQCPXGJBNET-ZWXJPIIXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077691; PubChem:CID44279451
|
Local ready
Direct docking supported
|
|
E3L045409
BDB045409
|
BDBM50077692
c1ccc(COCCCOc2ccc([C@H]3[C@H](Cn4cncn4)CNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C35H38N4O3 562.714000 |
ISCDJZSJGRAECW-SYRLMZQMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077692; PubChem:CID44279659
|
Local ready
Direct docking supported
|
|
E3L045410
BDB045410
|
BDBM50077693
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1
|
C34H40N2O6 572.702000 |
YNZOWKPPAKUTGP-ZUKKLESISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077693; PubChem:CID21968125
|
Local ready
Direct docking supported
|
|
E3L045411
BDB045411
|
BDBM50077694
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4c(c3)NCCC4)cc2)cc1
|
C31H38N2O3 486.656000 |
GWJQLUAVZSLETP-VEEOACQBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077694; PubChem:CID9826726
|
Local ready
Direct docking supported
|
|
E3L045412
BDB045412
|
BDBM50077695
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3cccnc3c2)cc1
|
C32H36N2O4 512.650000 |
OTVOEZNYPLBKLK-PPTMTGTBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077695; PubChem:CID44279557
|
Local ready
Direct docking supported
|
|
E3L045413
BDB045413
|
BDBM50077696
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccc(OCCN5CCOCC5)cc4c3)cc2)cc1
|
C38H46N2O5 610.795000 |
SHAMCHNYKIYNST-AMAPPZPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077696; PubChem:CID9916928
|
Local ready
Direct docking supported
|
|
E3L045414
BDB045414
|
BDBM50077697
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3ccc(=O)[nH]c3c2)cc1
|
C32H36N2O5 528.649000 |
FGRRSMOVWCCRRC-MVSFAKPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077697; PubChem:CID44279174
|
Local ready
Direct docking supported
|
|
E3L045415
BDB045415
|
BDBM50077698
COc1ccccc1COCCCOc1ncc([C@H]2CCNC[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1
|
C33H39N3O6 573.690000 |
UNMOYPMWHBXSEG-NEEKEDPPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077698; PubChem:CID44279315
|
Local ready
Direct docking supported
|
|
E3L045416
BDB045416
|
BDBM50077699
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@@H]2OCc2ccc3c(c2)NCCC3)cc1
|
C32H40N2O4 516.682000 |
UXRWZYYMQOXLII-PPTMTGTBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077699; PubChem:CID25099190
|
Local ready
Direct docking supported
|
|
E3L045417
BDB045417
|
BDBM50077700
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cn2)cc1
|
C31H34N2O3 482.624000 |
YMANGYDCCDCVQG-IHLOFXLRSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077700; PubChem:CID44279530
|
Local ready
Direct docking supported
|
|
E3L045418
BDB045418
|
BDBM50077701
c1ccc(COCCCOc2ncc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cn2)cc1
|
C30H33N3O3 483.612000 |
BIGIMPXZPSYVCM-WDYNHAJCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077701; PubChem:CID44279529
|
Local ready
Direct docking supported
|
|
E3L045419
BDB045419
|
BDBM50077702
c1ccc(COCCCOc2ccc([C@H]3[C@H](CSc4ccncc4)CNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1
|
C38H40N2O3S 604.816000 |
CKFYLSMACGXFQB-XHFCRVKJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077702; PubChem:CID44278995
|
Local ready
Direct docking supported
|
|
E3L045420
BDB045420
|
BDBM50077703
c1ccc(COCCCOc2ccc([C@@H]3[C@@H](OCc4ccc5ccccc5c4)CNC[C@H]3OCCN3CCOCC3)cc2)cc1
|
C38H46N2O5 610.795000 |
QPDCVHOOSRJVPI-XWTVRQILSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50077703; PubChem:CID44279694
|
Local ready
Direct docking supported
|