| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L000281
BDB000281
|
BDBM17974
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@@H](C)O2
|
C19H25N5O3 371.441000 |
BIRFZNWWCAWOJS-LLVKDONJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17974; PubChem:CID23647875
|
Local ready
Direct docking supported
|
|
E3L000282
BDB000282
|
BDBM17975
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)[C@H](C)O2
|
C19H25N5O3 371.441000 |
BIRFZNWWCAWOJS-NSHDSACASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17975; PubChem:CID23647876
|
Local ready
Direct docking supported
|
|
E3L000283
BDB000283
|
BDBM17976
CCCC1Oc2ccc(-c3c(N)nc(N)nc3CC)cc2N(CCCOC)C1=O
|
C21H29N5O3 399.495000 |
JALXBSVUYLBHDF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17976; PubChem:CID23647877
|
Local ready
Direct docking supported
|
|
E3L000284
BDB000284
|
BDBM17977
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1ccccc1)O2
|
C24H27N5O3 433.512000 |
BBUAFKOJRUKNLF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17977; PubChem:CID23647878
|
Local ready
Direct docking supported
|
|
E3L000285
BDB000285
|
BDBM17978
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1ccc(F)c(F)c1)O2
|
C24H25F2N5O3 469.492000 |
FHZXKDSSEASKFK-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17978; PubChem:CID23647879
|
Local ready
Direct docking supported
|
|
E3L000286
BDB000286
|
BDBM17979
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1ccc(F)cc1)O2
|
C24H26FN5O3 451.502000 |
ZUQMZSORYMKWIZ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17979; PubChem:CID23647880
|
Local ready
Direct docking supported
|
|
E3L000287
BDB000287
|
BDBM17980
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1cc(F)cc(F)c1)O2
|
C24H25F2N5O3 469.492000 |
KHZQOXQOUCGGGA-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17980; PubChem:CID6914628
|
Local ready
Direct docking supported
|
|
E3L000288
BDB000288
|
BDBM17981
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1cccc(F)c1F)O2
|
C24H25F2N5O3 469.492000 |
KQGVDKCLJSQXOY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17981; PubChem:CID23647881
|
Local ready
Direct docking supported
|
|
E3L000289
BDB000289
|
BDBM17982
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(C)O2
|
C20H27N5O3 385.468000 |
WPAPODFGOZXFLG-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17982; PubChem:CID6914629
|
Local ready
Direct docking supported
|
|
E3L000290
BDB000290
|
BDBM17983
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C)O2
|
C20H26N6O3 398.467000 |
GBXSOZDYCSBLQX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17983; PubChem:CID6914627
|
Local ready
Direct docking supported
|
|
E3L000291
BDB000291
|
BDBM17984
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(C(F)(F)F)O2
|
C20H23F3N6O3 452.437000 |
XHILZVTVIKVPKW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17984; PubChem:CID23647882
|
Local ready
Direct docking supported
|
|
E3L000292
BDB000292
|
BDBM17985
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(CC)O2
|
C21H29N5O3 399.495000 |
RNPYGOUJOKJBQI-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17985; PubChem:CID23647883
|
Local ready
Direct docking supported
|
|
E3L000293
BDB000293
|
BDBM17986
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(CC)(CC)O2
|
C22H31N5O3 413.522000 |
QENBZBQERGRPHC-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17986; PubChem:CID23647884
|
Local ready
Direct docking supported
|
|
E3L000294
BDB000294
|
1,4-Benzoxazin-3-one, 24
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C1(CC1)O2
|
C20H24N6O3 396.451000 |
ULSULMMOPVCYQW-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17987; PubChem:CID23647885
|
Local ready
Direct docking supported
|
|
E3L000295
BDB000295
|
BDBM17988
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H27F2N5O3 483.519000 |
UAXNNGUDPWZOKX-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17988; PubChem:CID16043268
|
Local ready
Direct docking supported
|
|
E3L000296
BDB000296
|
BDBM17989
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2
|
C25H26F2N6O3 496.518000 |
OJPCZEDCYHLAEY-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17989; PubChem:CID23647886
|
Local ready
Direct docking supported
|
|
E3L000297
BDB000297
|
BDBM17990
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(CC)(c1cc(F)cc(F)c1)O2
|
C26H29F2N5O3 497.546000 |
ICDYHYNUXPDZEQ-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17990; PubChem:CID23647887
|
Local ready
Direct docking supported
|
|
E3L000298
BDB000298
|
BDBM17991
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1ccc(F)c(F)c1)O2
|
C25H27F2N5O3 483.519000 |
UGOGQLRJKMMHMF-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17991; PubChem:CID23647888
|
Local ready
Direct docking supported
|
|
E3L000299
BDB000299
|
BDBM17992
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cccc(C(F)(F)F)c1)O2
|
C26H27F3N6O3 528.535000 |
ONRGYKGRPVMXIR-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17992; PubChem:CID23647889
|
Local ready
Direct docking supported
|
|
E3L000300
BDB000300
|
BDBM17993
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1ccc(Cl)cc1)O2
|
C25H27ClN6O3 494.983000 |
HOBWYNFQYPRIDL-UHFFFAOYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM17993; PubChem:CID23647890
|
Local ready
Direct docking supported
|