| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000261
BDB000261
|
BDBM17954
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3c(c2)NCCC3)cc1
|
C32H41N3O3 515.698000 |
KKXYEMLRFDXQTG-BVRKHOPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17954; PubChem:CID23647859
|
Local ready
Direct docking supported
|
|
E3L000262
BDB000262
|
BDBM17955
COC(=O)c1cccc2cc(CN[C@@H]3CNCC[C@@H]3c3ccc(OCCCOCc4ccccc4OC)cc3)ccc12
|
C35H40N2O5 568.714000 |
NZZUKFOQXFOTKU-ZQWAWDFXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17955; PubChem:CID23647860
|
Local ready
Direct docking supported
|
|
E3L000263
BDB000263
|
BDBM17956
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3occc3c2)cc1
|
C31H36N2O4 500.639000 |
OSAGECXYEGZJNR-FQLXRVMXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17956; PubChem:CID23647861
|
Local ready
Direct docking supported
|
|
E3L000264
BDB000264
|
BDBM17957
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3[nH]ccc3c2)cc1
|
C31H37N3O3 499.655000 |
UHZVNQHANFABIP-PQHLKRTFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17957; PubChem:CID23647862
|
Local ready
Direct docking supported
|
|
E3L000265
BDB000265
|
BDBM17958
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc3c(C(=O)O)cccc3c2)cc1
|
C34H38N2O5 554.687000 |
VUCTZMWYJWRKJI-XLJNKUFUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17958; PubChem:CID11353424
|
Local ready
Direct docking supported
|
|
E3L000266
BDB000266
|
BDBM17959
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NC(=O)c2ccc3ccccc3c2)cc1
|
C33H36N2O4 524.661000 |
QQOUHIQZYXBCRW-FIRIVFDPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17959; PubChem:CID23647863
|
Local ready
Direct docking supported
|
|
E3L000267
BDB000267
|
BDBM17960
COc1ccccc1COCCCOc1ccc([C@H]2CCNC[C@H]2NCc2ccc(-c3ccccc3)cc2)cc1
|
C35H40N2O3 536.716000 |
LDTZYIHUNGVWCK-KKLWWLSJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17960; PubChem:CID23647864
|
Local ready
Direct docking supported
|
|
E3L000268
BDB000268
|
BDBM17961
COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3ccccc3c2)cc1
|
C32H36N2O4 512.650000 |
MLGRCABKNHJASE-GDLZYMKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17961; PubChem:CID23647865
|
Local ready
Direct docking supported
|
|
E3L000269
BDB000269
|
BDBM17962
COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COCc2ccc3ccccc3c2)cc1
|
C33H38N2O4 526.677000 |
IBKXZPJTGRVCRY-WJOKGBTCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17962; PubChem:CID23647866
|
Local ready
Direct docking supported
|
|
E3L000270
BDB000270
|
BDBM17963
COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COCc2ccc(-c3ccccc3)cc2)cc1
|
C35H40N2O4 552.715000 |
CHGYEZYZPRNDEG-MGBGTMOVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17963; PubChem:CID23647867
|
Local ready
Direct docking supported
|
|
E3L000271
BDB000271
|
BDBM17964
COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3c(c2)CCCC3)cc1
|
C32H40N2O4 516.682000 |
UMWUHBWCBWENIX-GDLZYMKVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17964; PubChem:CID23647868
|
Local ready
Direct docking supported
|
|
E3L000272
BDB000272
|
BDBM17965
COc1ccccc1COCCCOc1ccc(N2CCNC[C@@H]2COc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1
|
C35H46N4O5 602.776000 |
IJXSZKKAYGBVFA-WJOKGBTCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17965; PubChem:CID11250413
|
Local ready
Direct docking supported
|
|
E3L000273
BDB000273
|
BDBM17966
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1
|
C32H34N2O5 526.633000 |
YNZFVUGNLOWSTD-MUUNZHRXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17966; PubChem:CID11214666
|
Local ready
Direct docking supported
|
|
E3L000274
BDB000274
|
BDBM17967
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3c(c2)N(CCNC(C)=O)CCC3)cc1
|
C35H44N4O6 616.759000 |
KKULHWAGAYCAAF-SSEXGKCCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17967; PubChem:CID11330998
|
Local ready
Direct docking supported
|
|
E3L000275
BDB000275
|
BDBM17968
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CCO2
|
C18H25N5O2 343.431000 |
VDMCOJCRDIIQBP-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17968; PubChem:CID23647869
|
Local ready
Direct docking supported
|
|
E3L000276
BDB000276
|
BDBM17969
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)CO2
|
C18H23N5O3 357.414000 |
JWTRKGZOEQFLQY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17969; PubChem:CID23647870
|
Local ready
Direct docking supported
|
|
E3L000277
BDB000277
|
BDBM17970
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)CC(C)O2
|
C19H27N5O2 357.458000 |
JXDVAXZXKPBBKM-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17970; PubChem:CID23647871
|
Local ready
Direct docking supported
|
|
E3L000278
BDB000278
|
BDBM17971
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C[C@@H](C)O2
|
C19H27N5O2 357.458000 |
JXDVAXZXKPBBKM-GFCCVEGCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17971; PubChem:CID23647872
|
Local ready
Direct docking supported
|
|
E3L000279
BDB000279
|
BDBM17972
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C[C@H](C)O2
|
C19H27N5O2 357.458000 |
JXDVAXZXKPBBKM-LBPRGKRZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17972; PubChem:CID23647873
|
Local ready
Direct docking supported
|
|
E3L000280
BDB000280
|
BDBM17973
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)O2
|
C19H25N5O3 371.441000 |
BIRFZNWWCAWOJS-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17973; PubChem:CID23647874
|
Local ready
Direct docking supported
|