| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045261
BDB045261
|
BDBM50066251
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)Cc2ccccc2)C(C)C)ccc1OC
|
C28H39N3O5 497.636000 |
GPRLSDRLVIKSPY-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066251; PubChem:CID59272028
|
Local ready
Direct docking supported
|
|
E3L045262
BDB045262
|
BDBM50066252
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)CC2CCOCC2)C(C)C)ccc1OC
|
C27H43N3O6 505.656000 |
PLWCLTNJVOKTLA-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066252; PubChem:CID59272265
|
Local ready
Direct docking supported
|
|
E3L045263
BDB045263
|
BDBM50066253
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)CC2CCCCC2)C(C)C)ccc1OC
|
C28H45N3O5 503.684000 |
HEGBMSMVMWNRCP-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066253; PubChem:CID59272210
|
Local ready
Direct docking supported
|
|
E3L045264
BDB045264
|
BDBM50066254
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)c2ccccc2)C(C)C)ccc1OC
|
C27H37N3O5 483.609000 |
LZZVKIOGJNHXEN-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066254; PubChem:CID118727806
|
Local ready
Direct docking supported
|
|
E3L045265
BDB045265
|
BDBM50066255
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)C2CCOCC2)C(C)C)ccc1OC
|
C26H41N3O6 491.629000 |
WMOLSILQHXYKNV-FCHUYYIVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066255; PubChem:CID59272204
|
Local ready
Direct docking supported
|
|
E3L045266
BDB045266
|
BDBM50066256
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)C2CCCCC2)C(C)C)ccc1OC
|
C27H43N3O5 489.657000 |
BPDKPSLWEOXFJX-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066256; PubChem:CID59272059
|
Local ready
Direct docking supported
|
|
E3L045267
BDB045267
|
BDBM50066257
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Nc2ccc3c(c2)NCCO3)C(C)C)ccc1OC
|
C28H40N4O5 512.651000 |
MYZPRGQYGKXHEE-XUZZJYLKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066257; PubChem:CID118727805
|
Local ready
Direct docking supported
|
|
E3L045268
BDB045268
|
BDBM50066258
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2Nc2ccc3nc[nH]c3c2)C(C)C)ccc1OC
|
C27H37N5O4 495.624000 |
FZJFCJHZKBIQOH-GBXCKJPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066258; PubChem:CID118727804
|
Local ready
Direct docking supported
|
|
E3L045269
BDB045269
|
BDBM50066259
COCCCOc1cc(C(=O)N(C[C@H]2CNC[C@@H]2NCc2ccc3ccccc3c2)C(C)C)ccc1OC
|
C31H41N3O4 519.686000 |
XZJFCCNTHXFRPO-IZLXSDGUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066259; PubChem:CID59272222
|
Local ready
Direct docking supported
|
|
E3L045270
BDB045270
|
BDBM50066260
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NCc2ccc3ccccc3c2)C(C)C)ccc1OC
|
C31H41N3O4 519.686000 |
XZJFCCNTHXFRPO-WUFINQPMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066260; PubChem:CID68448803
|
Local ready
Direct docking supported
|
|
E3L045271
BDB045271
|
BDBM50066261
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NCCc2ccccc2)C(C)C)ccc1OC
|
C28H41N3O4 483.653000 |
XATKUPBDQQVNPD-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066261; PubChem:CID118727803
|
Local ready
Direct docking supported
|
|
E3L045272
BDB045272
|
BDBM50066262
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(C)c2ccccc2)C(C)C)ccc1OC
|
C28H41N3O4 483.653000 |
OLCBDZOSTAUIBI-DYCCLRLQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066262; PubChem:CID118727802
|
Local ready
Direct docking supported
|
|
E3L045273
BDB045273
|
BDBM50066263
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2N(C)Cc2ccccc2)C(C)C)ccc1OC
|
C28H41N3O4 483.653000 |
TUVMQXITBXPETH-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066263; PubChem:CID118727801
|
Local ready
Direct docking supported
|
|
E3L045274
BDB045274
|
BDBM50066264
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NCc2ccccc2)C(C)C)ccc1OC
|
C27H39N3O4 469.626000 |
WFYNQDLPGCLAMW-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066264; PubChem:CID90713674
|
Local ready
Direct docking supported
|
|
E3L045275
BDB045275
|
BDBM50066265
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NCC2CCCC2)C(C)C)ccc1OC
|
C26H43N3O4 461.647000 |
NXHIYVQFVXPYEZ-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066265; PubChem:CID118727800
|
Local ready
Direct docking supported
|
|
E3L045276
BDB045276
|
BDBM50066266
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC2CCCCC2)C(C)C)ccc1OC
|
C26H43N3O4 461.647000 |
OXKKFCARBJOCEN-JTHBVZDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066266; PubChem:CID118727799
|
Local ready
Direct docking supported
|
|
E3L045277
BDB045277
|
BDBM50066267
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC2CCC2)C(C)C)ccc1OC
|
C24H39N3O4 433.593000 |
ZAFIBOYSLAJJSG-PZJWPPBQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066267; PubChem:CID118727798
|
Local ready
Direct docking supported
|
|
E3L045278
BDB045278
|
BDBM50066268
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(C)C)C(C)C)ccc1OC
|
C23H39N3O4 421.582000 |
ZRRNBMWZMUPSPQ-VQTJNVASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066268; PubChem:CID118727797
|
Local ready
Direct docking supported
|
|
E3L045279
BDB045279
|
BDBM50066269
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC
|
C27H39N3O6S 533.691000 |
WPSURGXSNWIBBJ-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066269; PubChem:CID59272004
|
Local ready
Direct docking supported
|
|
E3L045280
BDB045280
|
BDBM50066270
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2N(C)S(=O)(=O)Cc2ccccc2)C(C)C)ccc1OC
|
C28H41N3O6S 547.718000 |
MWRWLHRYTHBVST-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066270; PubChem:CID59272020
|
Local ready
Direct docking supported
|