| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051041
BDB051041
|
BDBM50287283
CCN(c1cc2oc(C)cc2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C26H33N3O4 451.567000 |
QUIFNXAODBPCIP-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287283; PubChem:CID145972718
|
Local ready
Direct docking supported
|
|
E3L051042
BDB051042
|
BDBM50287284
CCc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)c(N(CC)C2CCOCC2)cc2occc12
|
C26H33N3O4 451.567000 |
GOCXRQKFPULOLE-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287284; PubChem:CID145959121
|
Local ready
Direct docking supported
|
|
E3L051043
BDB051043
|
BDBM50287306
CCN(c1cc2sccc2c(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOCC1
|
C25H31N3O3S 453.608000 |
HSSZJJJBEMDIKW-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287306; PubChem:CID145954085
|
Local ready
Direct docking supported
|
|
E3L051044
BDB051044
|
BDBM50287307
CCc1c(N(CC)C2CCOCC2)cc2oc(CN3CCOCC3)cc2c1C(=O)NCc1c(OC)cc(C)[nH]c1=O
|
C31H42N4O6 566.699000 |
HGVOGVKCDOMMKJ-UHFFFAOYSA-N | O75530, Q09028 | Polycomb protein EED |
BindingDB, PubChem
BindingDB:BDBM50287307; PubChem:CID135332242
|
Local ready
Direct docking supported
|
|
E3L051045
BDB051045
|
BDBM50287359
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc(CO)c2ccccc12
|
C27H42N2O3 442.644000 |
MMGFQKAXPIEMEP-NGXZDTIWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287359; PubChem:CID44287871
|
Local ready
Direct docking supported
|
|
E3L051046
BDB051046
|
BDBM50287360
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCC(CCCC(C)(C)C)C1
|
C24H48N2O2 396.660000 |
OLROJEPCNCXVOH-XGQIVCTBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287360; PubChem:CID10046322
|
Local ready
Direct docking supported
|
|
E3L051047
BDB051047
|
BDBM50287361
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H]1CCC[C@H](CCCC(C)(C)C)C1
|
C24H48N2O2 396.660000 |
OLROJEPCNCXVOH-YXIAPDDASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287361; PubChem:CID44287674
|
Local ready
Direct docking supported
|
|
E3L051048
BDB051048
|
BDBM50287362
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCCc1cccc2ccccc12
|
C27H42N2O2 426.645000 |
HVUPTNLDQMEZKK-YNJKOYDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287362; PubChem:CID44287873
|
Local ready
Direct docking supported
|
|
E3L051049
BDB051049
|
BDBM50287363
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc(CO)c1
|
C23H40N2O3 392.584000 |
XNEGTXKJUFNNJJ-QMMLZNLJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287363; PubChem:CID44287804
|
Local ready
Direct docking supported
|
|
E3L051050
BDB051050
|
BDBM50287364
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc2ccccc2c1
|
C26H40N2O2 412.618000 |
RUIOMSMIWCEYGG-YGOYIFOWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287364; PubChem:CID10070294
|
Local ready
Direct docking supported
|
|
E3L051051
BDB051051
|
BDBM50287365
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCCc1ccc2ccccc2c1
|
C27H42N2O2 426.645000 |
HNJZNEGUNFNWBZ-YNJKOYDBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287365; PubChem:CID44287425
|
Local ready
Direct docking supported
|
|
E3L051052
BDB051052
|
BDBM50287366
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@@H]1CCC[C@@H](CCCC(C)(C)C)C1
|
C24H48N2O2 396.660000 |
OLROJEPCNCXVOH-TWGBQZSLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287366; PubChem:CID10475887
|
Local ready
Direct docking supported
|
|
E3L051053
BDB051053
|
BDBM50287367
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)C
|
C14H30N2O2 258.406000 |
PCKWNCCWIOCGRM-AGIUHOORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287367; PubChem:CID44287451
|
Local ready
Direct docking supported
|
|
E3L051054
BDB051054
|
BDBM50287368
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1cccc2ccccc12
|
C26H40N2O2 412.618000 |
YDWDBHQIULJSHR-YGOYIFOWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287368; PubChem:CID44287424
|
Local ready
Direct docking supported
|
|
E3L051055
BDB051055
|
BDBM50287369
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(C)(C)CCc1ccc(CO)cc1
|
C23H40N2O3 392.584000 |
YWRFOCHYMCADRA-QMMLZNLJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287369; PubChem:CID44287870
|
Local ready
Direct docking supported
|
|
E3L051056
BDB051056
|
BDBM50287370
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1cccc(CCCC(C)(C)C)c1
|
C24H42N2O2 390.612000 |
PSCIJGUZCLZPTI-COPCDDAFSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287370; PubChem:CID44287642
|
Local ready
Direct docking supported
|
|
E3L051057
BDB051057
|
BDBM50287371
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)Cc1ccc(OCc2ccccc2)cc1
|
C24H34N2O3 398.547000 |
RCTRGCIGJWEZKU-LEOXJPRUSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287371; PubChem:CID44287452
|
Local ready
Direct docking supported
|
|
E3L051058
BDB051058
|
BDBM50287372
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H]1CC[C@H](CCCC(C)(C)C)CC1
|
C24H48N2O2 396.660000 |
XJGMHNHWSJSMPH-YXIAPDDASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50287372
|
Local ready
Direct docking supported
|
|
E3L051059
BDB051059
|
BDBM50287373
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC1CCCCC1
|
C17H34N2O2 298.471000 |
IODQQCZNYSEROJ-KBMXLJTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287373; PubChem:CID11289532
|
Local ready
Direct docking supported
|
|
E3L051060
BDB051060
|
BDBM50287374
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)CC(CC)(CC)CCc1cccc2ccccc12
|
C28H44N2O2 440.672000 |
MGXUXOGAYOIDAY-NYMACZPPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50287374; PubChem:CID44287872
|
Local ready
Direct docking supported
|