| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001281
BDB001281
|
Alkynyl ether, 36
CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C29H34O5S 494.653000 |
KAECBKOTTYPVDM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29894; PubChem:CID44143342
|
Local ready
Direct docking supported
|
|
E3L001282
BDB001282
|
Alkynyl ether, 37
CCC#CCOc1cc(COCC2CC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2
|
C28H32O5S 480.626000 |
XENYHKPTFFTRLB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM29895; PubChem:CID44143343
|
Local ready
Direct docking supported
|
|
E3L001283
BDB001283
|
Piperidine-1-carboxamide, 7a
COCCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1
|
C26H43N3O3 445.648000 |
WMJKWWVIOIGGCK-DSITVLBTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29927; PubChem:CID44143374
|
Local ready
Direct docking supported
|
|
E3L001284
BDB001284
|
Piperidine-1-carboxamide, 7b
CCOCCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1
|
C27H45N3O3 459.675000 |
DOQMKUCDLJZWHR-ZNZIZOMTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29928; PubChem:CID44143375
|
Local ready
Direct docking supported
|
|
E3L001285
BDB001285
|
Piperidine-1-carboxamide, 7c
CCOCCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1
|
C27H44ClN3O3 494.120000 |
CKMOOHFTUDCCKF-AFESJLNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29929; PubChem:CID44143376
|
Local ready
Direct docking supported
|
|
E3L001286
BDB001286
|
Piperidine-1-carboxamide, 7d
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCO)c2cccc(Cl)c2)C1
|
C26H42ClN3O3 480.093000 |
HKDKSABTYAIAAX-VJTSUQJLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29930; PubChem:CID44143377
|
Local ready
Direct docking supported
|
|
E3L001287
BDB001287
|
Piperidine-1-carboxamide, 7e
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCOC)c2cccc(F)c2)C1
|
C27H44FN3O3 477.665000 |
LNAAAUKRCPJZJX-AFESJLNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29931; PubChem:CID44143378
|
Local ready
Direct docking supported
|
|
E3L001288
BDB001288
|
Piperidine-1-carboxamide, 7f
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCOC)c2cccc(Cl)c2F)C1
|
C27H43ClFN3O3 512.110000 |
MQGYNBTVJAUBDI-TVZXLZGTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29932; PubChem:CID44143379
|
Local ready
Direct docking supported
|
|
E3L001289
BDB001289
|
Piperidine-1-carboxamide, 7g
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@H](OCCCOC)c2cccc(Cl)c2Cl)C1
|
C27H43Cl2N3O3 528.565000 |
HDPWASSQXJRMEQ-TVZXLZGTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29933; PubChem:CID44143380
|
Local ready
Direct docking supported
|
|
E3L001290
BDB001290
|
Piperidine-1-carboxamide, 7h
CCOCCCO[C@@H](c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1
|
C28H47N3O3 473.702000 |
SXTSVHBFOWFOMM-PVHODMMVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29934; PubChem:CID44143381
|
Local ready
Direct docking supported
|
|
E3L001291
BDB001291
|
Piperidine-1-carboxamide, 7i
CCOCCCO[C@@H](c1cccc(Cl)c1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1
|
C28H46ClN3O3 508.147000 |
ZMOFSGCUQSWCJB-STXQHDJLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29935; PubChem:CID44143382
|
Local ready
Direct docking supported
|
|
E3L001292
BDB001292
|
Piperidine-1-carboxamide, 7j
CCOCCCO[C@@H](c1cccc(F)c1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1
|
C28H46FN3O3 491.692000 |
GMVLYJRDYOHGSO-STXQHDJLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29936; PubChem:CID44143383
|
Local ready
Direct docking supported
|
|
E3L001293
BDB001293
|
Piperidine-1-carboxamide, 7k
CCOCCCO[C@@H](c1cccc(Cl)c1Cl)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1
|
C28H45Cl2N3O3 542.592000 |
ROSNWPZDWRIOHS-QSEAXJEQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29937; PubChem:CID44143384
|
Local ready
Direct docking supported
|
|
E3L001294
BDB001294
|
Piperidine-1-carboxamide, 21a
CCOCCCC[C@@](O)(c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1
|
C28H47N3O3 473.702000 |
ZZXGXSQNHCGLNP-FULLSBAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29938; PubChem:CID44143385
|
Local ready
Direct docking supported
|
|
E3L001295
BDB001295
|
Piperidine-1-carboxamide, 21b
COCCCC[C@@](O)(c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CN)CC2CCCCC2)C1
|
C27H45N3O3 459.675000 |
JTJSJFTVHFTSNP-CMTIAEDTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29939; PubChem:CID44143386
|
Local ready
Direct docking supported
|
|
E3L001296
BDB001296
|
Piperidine-1-carboxamide, 21c
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCO)c2cccc(Cl)c2)C1
|
C27H44ClN3O3 494.120000 |
OERHFNCWEQCJEZ-NRRYGQPISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29940; PubChem:CID44143387
|
Local ready
Direct docking supported
|
|
E3L001297
BDB001297
|
Piperidine-1-carboxamide, 21d
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2)C1
|
C28H47N3O3 473.702000 |
XNKVHKJOPPUUAZ-FULLSBAXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29941; PubChem:CID44143388
|
Local ready
Direct docking supported
|
|
E3L001298
BDB001298
|
Piperidine-1-carboxamide, 21e
CCOCCCC[C@@](O)(c1ccccc1)[C@@H]1CCCN(C(=O)N[C@H](CNC)CC2CCCCC2)C1
|
C29H49N3O3 487.729000 |
YADHFRAMIXASPF-IUAQSZDVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29942; PubChem:CID44143389
|
Local ready
Direct docking supported
|
|
E3L001299
BDB001299
|
Piperidine-1-carboxamide, 21f
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2Cl)C1
|
C28H46ClN3O3 508.147000 |
HCRMKCAILQTGAX-NYULUDCUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29943; PubChem:CID44143390
|
Local ready
Direct docking supported
|
|
E3L001300
BDB001300
|
Piperidine-1-carboxamide, 21g
CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2ccccc2F)C1
|
C28H46FN3O3 491.692000 |
GHLIAQVVKMLYBD-NYULUDCUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM29944; PubChem:CID44143391
|
Local ready
Direct docking supported
|