| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045241
BDB045241
|
BDBM50066149
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C(C)C)ccc1OC
|
C27H36F3N3O7S 603.660000 |
WJVIXGMRBQLYFG-NZQKXSOJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066149; PubChem:CID59272074
|
Local ready
Direct docking supported
|
|
E3L045242
BDB045242
|
BDBM50066150
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(C)C)ccc1OC
|
C32H41N3O7S 611.761000 |
ZSIZAIHOOZKGLK-ABYGYWHVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066150; PubChem:CID59271984
|
Local ready
Direct docking supported
|
|
E3L045243
BDB045243
|
BDBM50066151
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2ccc(OC)cc2)C(C)C)ccc1OC
|
C27H39N3O7S 549.690000 |
QPLLWGNHELBUMW-XUZZJYLKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066151; PubChem:CID118728570
|
Local ready
Direct docking supported
|
|
E3L045244
BDB045244
|
BDBM50066152
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2cccc(OC)c2)C(C)C)ccc1OC
|
C27H39N3O7S 549.690000 |
GOYNCJHSKGUSLM-XUZZJYLKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066152; PubChem:CID118727808
|
Local ready
Direct docking supported
|
|
E3L045245
BDB045245
|
BDBM50066153
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)c2ccc(C)cc2)C(C)C)ccc1OC
|
C27H39N3O6S 533.691000 |
RCXREJXZQYBNRM-LADGPHEKSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066153; PubChem:CID91664005
|
Local ready
Direct docking supported
|
|
E3L045246
BDB045246
|
BDBM50066154
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)CC2CCOCC2)C(C)C)ccc1OC
|
C26H43N3O7S 541.711000 |
BVOJUQIDIWBGQI-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066154; PubChem:CID59272298
|
Local ready
Direct docking supported
|
|
E3L045247
BDB045247
|
BDBM50066155
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)CC2CCCCC2)C(C)C)ccc1OC
|
C27H45N3O6S 539.739000 |
ZOEHLOWNLSVVMD-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066155; PubChem:CID59271966
|
Local ready
Direct docking supported
|
|
E3L045248
BDB045248
|
BDBM50066156
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NS(=O)(=O)CC2CCCC2)C(C)C)ccc1OC
|
C26H43N3O6S 525.712000 |
SCYMXLYMBODESZ-XZOQPEGZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066156; PubChem:CID59272093
|
Local ready
Direct docking supported
|
|
E3L045249
BDB045249
|
BDBM50066157
CCCS(=O)(=O)N[C@@H]1CNC[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C
|
C23H39N3O6S 485.647000 |
VMRPUAGNNAZLEM-VQTJNVASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066157; PubChem:CID59272041
|
Local ready
Direct docking supported
|
|
E3L045250
BDB045250
|
BDBM50066158
CCN(Cc1ccccc1)C(=O)N[C@@H]1CNC[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C
|
C30H44N4O5 540.705000 |
QDEZCBXAHANNFO-IZZNHLLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066158; PubChem:CID59271991
|
Local ready
Direct docking supported
|
|
E3L045251
BDB045251
|
BDBM50066159
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)NCc2ccccc2)C(C)C)ccc1OC
|
C28H40N4O5 512.651000 |
UDMZGCMQGGYIFH-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066159; PubChem:CID59272251
|
Local ready
Direct docking supported
|
|
E3L045252
BDB045252
|
BDBM50066160
CC[C@H](OC(=O)N[C@@H]1CNC[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)c1ccccc1
|
C30H43N3O6 541.689000 |
ZMRQCBOLJYFEEJ-NXCFDTQHSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066160; PubChem:CID59272011
|
Local ready
Direct docking supported
|
|
E3L045253
BDB045253
|
BDBM50066161
CC[C@@H](OC(=O)N[C@@H]1CNC[C@H]1CN(C(=O)c1ccc(OC)c(OCCCOC)c1)C(C)C)c1ccccc1
|
C30H43N3O6 541.689000 |
ZMRQCBOLJYFEEJ-JIMJEQGWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066161; PubChem:CID59272065
|
Local ready
Direct docking supported
|
|
E3L045254
BDB045254
|
BDBM50066175
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2N(C)C(=O)OCc2ccccc2)C(C)C)ccc1OC
|
C29H41N3O6 527.662000 |
ZTSNMSATXZPDSU-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066175; PubChem:CID59272218
|
Local ready
Direct docking supported
|
|
E3L045255
BDB045255
|
BDBM50066181
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)OCc2ccccc2)C(C)C)ccc1OC
|
C28H39N3O6 513.635000 |
ASBKGVWWADMSIU-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066181; PubChem:CID59272228
|
Local ready
Direct docking supported
|
|
E3L045256
BDB045256
|
BDBM50066235
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)OCC2CCCCC2)C(C)C)ccc1OC
|
C28H45N3O6 519.683000 |
HLXHCRZAVCFDIS-BJKOFHAPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066235; PubChem:CID59272040
|
Local ready
Direct docking supported
|
|
E3L045257
BDB045257
|
BDBM50066247
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)OC2CCCCC2)C(C)C)ccc1OC
|
C27H43N3O6 505.656000 |
FXZCUBHCWGAJRU-JTHBVZDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066247; PubChem:CID59272290
|
Local ready
Direct docking supported
|
|
E3L045258
BDB045258
|
BDBM50066248
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)Oc2ccccc2)C(C)C)ccc1OC
|
C27H37N3O6 499.608000 |
SWCFORJQHWZZTK-JTHBVZDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066248; PubChem:CID59271989
|
Local ready
Direct docking supported
|
|
E3L045259
BDB045259
|
BDBM50066249
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)OC(C)C)C(C)C)ccc1OC
|
C24H39N3O6 465.591000 |
UUJUENWLYDDNIE-VQTJNVASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066249; PubChem:CID118727807
|
Local ready
Direct docking supported
|
|
E3L045260
BDB045260
|
BDBM50066250
COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2NC(=O)CCc2ccccc2)C(C)C)ccc1OC
|
C29H41N3O5 511.663000 |
YDPUZUFPFFYPHY-LOSJGSFVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50066250; PubChem:CID59272024
|
Local ready
Direct docking supported
|