| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008541
BDB008541
|
BDBM210332
CC(C)c1cc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)ncc1F
|
C28H28F4N6O2 556.564000 |
LBRPIHQSWHVOOQ-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210332; PubChem:CID77847287
|
Local ready
Direct docking supported
|
|
E3L008542
BDB008542
|
BDBM210333
CC(C)c1ccc(O)c(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C29H30F3N5O3 553.585000 |
KKLQXYSXZLDHGY-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210333; PubChem:CID136295571
|
Local ready
Direct docking supported
|
|
E3L008543
BDB008543
|
BDBM212462
COCCCOc1cc(OC)cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C21H32N2O5 392.496000 |
DQPGEBYGTNTVFC-YQYDADCPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212462; PubChem:CID66551832
|
Local ready
Direct docking supported
|
|
E3L008544
BDB008544
|
BDBM212463
C[C@H](c1ccc2ccccc2c1)N(C(=O)[C@H]1CNCCO1)C1CC1
|
C20H24N2O2 324.424000 |
NFNFWYPWEWRFJP-AUUYWEPGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212463; PubChem:CID73672518
|
Local ready
Direct docking supported
|
|
E3L008545
BDB008545
|
BDBM212464
C[C@@H](c1ccc2ccccc2c1)N(C(=O)[C@H]1CNCCO1)C1CC1
|
C20H24N2O2 324.424000 |
NFNFWYPWEWRFJP-IFXJQAMLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212464; PubChem:CID73672636
|
Local ready
Direct docking supported
|
|
E3L008546
BDB008546
|
BDBM212465
COCCCOc1cc(OC)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C21H32N2O5 392.496000 |
DQPGEBYGTNTVFC-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212465; PubChem:CID68309098
|
Local ready
Direct docking supported
|
|
E3L008547
BDB008547
|
BDBM212466
COCCCn1nc(C)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H32N4O3 400.523000 |
ZFNJTKXIIDKOGU-IIBYNOLFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212466; PubChem:CID66551447
|
Local ready
Direct docking supported
|
|
E3L008548
BDB008548
|
BDBM212467
COc1cc(OC)cc(C(C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C18H26N2O4 334.416000 |
RNGJGVJRXWNEKO-RGUGMKFQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212467; PubChem:CID89939525
|
Local ready
Direct docking supported
|
|
E3L008549
BDB008549
|
BDBM212468
COCCCn1nc(C)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H32N4O3 400.523000 |
ZFNJTKXIIDKOGU-HRAATJIYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212468; PubChem:CID68310592
|
Local ready
Direct docking supported
|
|
E3L008550
BDB008550
|
BDBM212469
COCCCOc1ccc2c(c1)[C@H](N(C(=O)[C@H]1CNCCO1)C1CC1)CC2
|
C21H30N2O4 374.481000 |
ZIEDPAVQQOPNPM-WOJBJXKFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212469; PubChem:CID66551636
|
Local ready
Direct docking supported
|
|
E3L008551
BDB008551
|
BDBM212470
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1C
|
C21H32N2O4 376.497000 |
RBBRALYPLIXTKS-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212470; PubChem:CID66551637
|
Local ready
Direct docking supported
|
|
E3L008552
BDB008552
|
BDBM212471
COCCCOc1cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
|
C21H32N2O5 392.496000 |
JLHLQWGXBDSHDU-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212471; PubChem:CID66551639
|
Local ready
Direct docking supported
|
|
E3L008553
BDB008553
|
BDBM212472
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1C
|
C21H32N2O4 376.497000 |
RBBRALYPLIXTKS-OXJNMPFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212472; PubChem:CID117877373
|
Local ready
Direct docking supported
|
|
E3L008554
BDB008554
|
BDBM212473
COCCCOc1cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)ccc1OC
|
C21H32N2O5 392.496000 |
JLHLQWGXBDSHDU-MGPUTAFESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212473; PubChem:CID117877375
|
Local ready
Direct docking supported
|
|
E3L008555
BDB008555
|
BDBM212474
COCCCOc1cc(C)cc([C@@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C21H32N2O4 376.497000 |
ZYOFITUPGLXYMZ-OXQOHEQNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212474; PubChem:CID66551641
|
Local ready
Direct docking supported
|
|
E3L008556
BDB008556
|
BDBM212475
COCCCOc1cc(C)cc([C@H](C)N(C(=O)[C@H]2CNCCO2)C2CC2)c1
|
C21H32N2O4 376.497000 |
ZYOFITUPGLXYMZ-OXJNMPFZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212475; PubChem:CID117791595
|
Local ready
Direct docking supported
|
|
E3L008557
BDB008557
|
BDBM212476
COCCCOc1ccc2c(c1)[C@@H](N(C(=O)[C@H]1CNCCO1)C1CC1)CC2
|
C21H30N2O4 374.481000 |
ZIEDPAVQQOPNPM-VQTJNVASSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212476; PubChem:CID117883190
|
Local ready
Direct docking supported
|
|
E3L008558
BDB008558
|
BDBM212477
COCCCn1cc(Cl)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H30ClN3O3 419.953000 |
KJUYFYOMMZGATM-QVKFZJNVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212477; PubChem:CID66551640
|
Local ready
Direct docking supported
|
|
E3L008559
BDB008559
|
BDBM212478
COCCCn1cc(Cl)c2ccc([C@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
|
C22H30ClN3O3 419.953000 |
KJUYFYOMMZGATM-YCRPNKLZSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212478; PubChem:CID68308681
|
Local ready
Direct docking supported
|
|
E3L008560
BDB008560
|
BDBM212479
COCCCn1cc(Cl)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCN3)C3CC3)cc21
|
C22H31ClN4O2 418.969000 |
UHYIJJQHEZOFOU-FOIQADDNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM212479; PubChem:CID66551445
|
Local ready
Direct docking supported
|