| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053881
BDB053881
|
BDBM50359173
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OC(=O)Cc2ccccc23)C2CC2)cc(OCCOC)c1
|
C31H40N2O6 536.669000 |
BEPZQODHCZLPEN-MVSFAKPFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359173; PubChem:CID57390807
|
Local ready
Direct docking supported
|
|
E3L053882
BDB053882
|
BDBM50359174
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cc(OCCOC)c1
|
C30H38F2N2O5 544.639000 |
MWXLYTROOQGXBN-VIZCGCQYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359174; PubChem:CID57390808
|
Local ready
Direct docking supported
|
|
E3L053883
BDB053883
|
BDBM50359175
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccccc1Cl)C1CC1
|
C23H23ClF2N2O2 432.898000 |
YUCWSJHYTURXJL-JPYJTQIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359175; PubChem:CID57394339
|
Local ready
Direct docking supported
|
|
E3L053884
BDB053884
|
BDBM50359176
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(Cl)c1Cl)C1CC1
|
C23H22Cl2F2N2O2 467.343000 |
CQJOBYOSYKVBFX-HXOBKFHXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359176; PubChem:CID57403067
|
Local ready
Direct docking supported
|
|
E3L053885
BDB053885
|
BDBM50359177
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccc(Cl)cc1Cl)C1CC1
|
C23H22Cl2F2N2O2 467.343000 |
UWRLQDKZLAIUGI-JPYJTQIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359177; PubChem:CID57401307
|
Local ready
Direct docking supported
|
|
E3L053886
BDB053886
|
BDBM50359178
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cc(Cl)ccc1Cl)C1CC1
|
C23H22Cl2F2N2O2 467.343000 |
IPEIMNMDXCTULH-JPYJTQIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359178; PubChem:CID57394340
|
Local ready
Direct docking supported
|
|
E3L053887
BDB053887
|
BDBM50359179
Cc1cccc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1C
|
C25H28F2N2O2 426.507000 |
MHVYWHNMBRDTMC-BWKNWUBXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359179; PubChem:CID50905013
|
Local ready
Direct docking supported
|
|
E3L053888
BDB053888
|
BDBM50359180
Cc1c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)cccc1C(F)(F)F
|
C25H25F5N2O2 480.477000 |
WSNYMUSQZWXVNZ-YKSBVNFPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359180; PubChem:CID57396096
|
Local ready
Direct docking supported
|
|
E3L053889
BDB053889
|
BDBM50359181
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc(C(F)(F)F)c1Cl)C1CC1
|
C24H22ClF5N2O2 500.895000 |
PRVWMJVSFWNIFV-JPYJTQIMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359181; PubChem:CID57394341
|
Local ready
Direct docking supported
|
|
E3L053890
BDB053890
|
BDBM50359182
COCCCc1cc(C)c(C)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1
|
C29H36F2N2O3 498.614000 |
JEGFJOUJUPKNPT-IRPSRAIASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359182; PubChem:CID57394342
|
Local ready
Direct docking supported
|
|
E3L053891
BDB053891
|
BDBM50359183
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2ccccc12)C1CC1
|
C27H26F2N2O2 448.513000 |
FAMHFRDBTJMOTD-KCWPFWIISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359183; PubChem:CID57394343
|
Local ready
Direct docking supported
|
|
E3L053892
BDB053892
|
BDBM50359184
COCCCc1cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c2ccccc2c1
|
C31H34F2N2O3 520.620000 |
VOVWPJYRKUBSTK-JOMNFKBKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359184; PubChem:CID57399556
|
Local ready
Direct docking supported
|
|
E3L053893
BDB053893
|
BDBM50359185
COCCCc1cccc2cccc(CN(C(=O)[C@H]3CNCC[C@@]34OCc3cc(F)c(F)cc34)C3CC3)c12
|
C31H34F2N2O3 520.620000 |
HPNCTFIRUULSCT-NEEKEDPPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359185; PubChem:CID57401308
|
Local ready
Direct docking supported
|
|
E3L053894
BDB053894
|
BDBM50359186
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1nccc2ccccc12)C1CC1
|
C26H25F2N3O2 449.501000 |
WCHSAUILSYDXQD-RLWLMLJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359186; PubChem:CID57396097
|
Local ready
Direct docking supported
|
|
E3L053895
BDB053895
|
BDBM50359187
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1ccnc2ccccc12)C1CC1
|
C26H25F2N3O2 449.501000 |
NMRNERYMRSVGHM-RLWLMLJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359187; PubChem:CID57394344
|
Local ready
Direct docking supported
|
|
E3L053896
BDB053896
|
BDBM50359188
O=C([C@H]1CNCC[C@@]12OCc1cc(F)c(F)cc12)N(Cc1cccc2cccnc12)C1CC1
|
C26H25F2N3O2 449.501000 |
XITVKUPYTCBIOT-RLWLMLJZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359188; PubChem:CID57390809
|
Local ready
Direct docking supported
|
|
E3L053897
BDB053897
|
BDBM50359189
O=C1O[C@@]2(CCNC[C@@H]2C(=O)N(Cc2cccc(C(F)(F)F)c2Cl)C2CC2)c2cc(F)c(F)cc21
|
C24H20ClF5N2O3 514.878000 |
JFLDDEFROOZARM-HXOBKFHXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50359189; PubChem:CID57401309
|
Local ready
Direct docking supported
|
|
E3L053898
BDB053898
|
BDBM50359190
COCCCc1cc(CCCN2CCOCC2)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1
|
C34H44ClF2N3O4 632.192000 |
PIBCEYLKROLZIT-SJHOIFEDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50359190
|
Local ready
Direct docking supported
|
|
E3L053899
BDB053899
|
BDBM50359191
CCN(CC)CCCc1cc(CCCOC)cc(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1Cl
|
C34H46ClF2N3O3 618.209000 |
YHNTXMADPCPYPH-SJHOIFEDSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50359191
|
Local ready
Direct docking supported
|
|
E3L053900
BDB053900
|
BDBM50359192
COCCCc1cc(CCCCNS(C)(=O)=O)c(Cl)c(CN(C(=O)[C@H]2CNCC[C@@]23OCc2cc(F)c(F)cc23)C2CC2)c1
|
C32H42ClF2N3O5S 654.220000 |
YKCXEFNZNYQXHC-ZUKKLESISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50359192
|
Local ready
Direct docking supported
|