| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L043941
BDB043941
|
BDBM50016481
COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(Br)c1
|
C16H11BrClNO2 364.626000 |
RQRZCRGJJOIQDA-AWNIVKPZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50016481; PubChem:CID90643717
|
Local ready
Direct docking supported
|
|
E3L043942
BDB043942
|
1-(4-Methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
COc1ccc(C2NCCc3ccccc32)cc1
|
C16H17NO 239.318000 |
FSFZUYODRIULLG-UHFFFAOYSA-N | Q8IVV7 | Glucose-induced degradation protein 4 homolog |
BindingDB, PubChem
BindingDB:BDBM50017043; PubChem:CID12267903
|
Local ready
Direct docking supported
|
|
E3L043943
BDB043943
|
Tanshindiol B
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)[C@]2(C)O
|
C18H16O5 312.321000 |
RTKDBIDPGKCZJS-KPZWWZAWSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM50017291; PubChem:CID5321620
|
Local ready
Direct docking supported
|
|
E3L043944
BDB043944
|
Tanshindiol C
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@@H](O)[C@]2(C)O
|
C18H16O5 312.321000 |
RTKDBIDPGKCZJS-KZULUSFZSA-N | O75530 | Polycomb protein EED, Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM50017292; PubChem:CID126072
|
Local ready
Direct docking supported
|
|
E3L043945
BDB043945
|
Gsk2816126
CC[C@H](C)n1cc(C)c2c(C(=O)NCc3c(C)cc(C)[nH]c3=O)cc(-c3ccc(N4CCNCC4)nc3)cc21
|
C31H38N6O2 526.685000 |
FKSFKBQGSFSOSM-QFIPXVFZSA-N | O75530 | Histone-lysine N-methyltransferase EZH2 |
BindingDB, PubChem
BindingDB:BDBM50017293; PubChem:CID68210102
|
Local ready
Direct docking supported
|
|
E3L043946
BDB043946
|
D-His-Pro-Phe-His-Ile-Ile-Val-Tyr-OH
CC(C)C[C@H](CN[C@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1
|
C52H74N12O9 1011.239000 |
ABDWINSTWUZFIV-GMLLATMBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017487; PubChem:CID44278482
|
Local ready
Direct docking supported
|
|
E3L043947
BDB043947
|
BDBM50017773
COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1
|
C32H47N9O7 669.784000 |
BPXKJICUIINLGX-LLQHYSMESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017773
|
Local ready
Direct docking supported
|
|
E3L043948
BDB043948
|
BDBM50017774
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C(O)(CO)CN=[N+]=[N-]
|
C32H48N8O7 656.785000 |
LUPQNEFFSGNMEI-JVVKWOIGSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017774
|
Local ready
Direct docking supported
|
|
E3L043949
BDB043949
|
BDBM50017775
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CN=[N+]=[N-]
|
C30H44N8O5 596.733000 |
YWPUXEZQYIFNID-KEVKATSASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017775; PubChem:CID44278067
|
Local ready
Direct docking supported
|
|
E3L043950
BDB043950
|
BDBM50017776
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)CCN=[N+]=[N-]
|
C31H46N8O5 610.760000 |
XEBHOLAXAUQAMQ-LGTXBLIGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017776; PubChem:CID44278337
|
Local ready
Direct docking supported
|
|
E3L043951
BDB043951
|
BDBM50017777
COc1ccc(C[C@H](NC(=O)C(C)C)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@H](CC2CCCCC2)[C@H](O)[C@H](O)CN=[N+]=[N-])cc1
|
C31H46N8O6 626.759000 |
HJYJTJPDPDETSI-JYIVOWJTSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017777; PubChem:CID44278182
|
Local ready
Direct docking supported
|
|
E3L043952
BDB043952
|
BDBM50017778
[N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1
|
C31H45N9O6 639.758000 |
KFWRSPWHXHWFJD-JYIVOWJTSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017778
|
Local ready
Direct docking supported
|
|
E3L043953
BDB043953
|
BDBM50017779
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)C(=O)CN=[N+]=[N-]
|
C31H44N8O6 624.743000 |
NONFUUBQJDHZSF-AQCTUAEDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017779; PubChem:CID44278306
|
Local ready
Direct docking supported
|
|
E3L043954
BDB043954
|
BDBM50017780
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)CN=[N+]=[N-]
|
C31H46N8O6 626.759000 |
GEXRPFUOLASCKI-KQZFZZGISA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017780
|
Local ready
Direct docking supported
|
|
E3L043955
BDB043955
|
BDBM50017781
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@@H](O)CN=[N+]=[N-]
|
C31H46N8O6 626.759000 |
GEXRPFUOLASCKI-YLSALNBJSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017781
|
Local ready
Direct docking supported
|
|
E3L043956
BDB043956
|
BDBM50017782
[N-]=[N+]=NC[C@@H](O)[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)C1CCOCC1
|
C32H46N8O6 638.770000 |
USGGZYYLFZHMLW-LLQHYSMESA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017782
|
Local ready
Direct docking supported
|
|
E3L043957
BDB043957
|
BDBM50017783
CC(C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](O)CN=[N+]=[N-]
|
C30H44N8O5 596.733000 |
KYZQHPHXYFTWRL-KQZFZZGISA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017783; PubChem:CID44278242
|
Local ready
Direct docking supported
|
|
E3L043958
BDB043958
|
BDBM50017784
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@@H](CO)CN=[N+]=[N-]
|
C32H48N8O6 640.786000 |
BBAJUDQUKHLFJS-DHIPOJKXSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017784; PubChem:CID44278465
|
Local ready
Direct docking supported
|
|
E3L043959
BDB043959
|
BDBM50017785
C=C(CN=[N+]=[N-])[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
|
C32H46N8O5 622.771000 |
PCEIHHFYEOOESP-WXIAYYLYSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50017785; PubChem:CID44278243
|
Local ready
Direct docking supported
|
|
E3L043960
BDB043960
|
BDBM50017786
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CC1CCCCC1)[C@H](O)[C@H](CO)CN=[N+]=[N-]
|
C32H48N8O6 640.786000 |
BBAJUDQUKHLFJS-ZQXYJURASA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50017786
|
Local ready
Direct docking supported
|