| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051161
BDB051161
|
BDBM50290648
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1OCC(=O)OCC)C(C)C
|
C30H52N2O5 520.755000 |
JHWVYECENSBKAW-OZTIWKORSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290648; PubChem:CID44325434
|
Local ready
Direct docking supported
|
|
E3L051162
BDB051162
|
BDBM50290649
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)CC(Cc1ccc(C(C)(C)C)cc1)c1ccccc1
|
C29H44N2O2 452.683000 |
CJSNSSCOSAUHJH-XVMDFIFPSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290649; PubChem:CID44325369
|
Local ready
Direct docking supported
|
|
E3L051163
BDB051163
|
BDBM50290650
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1)CC(C)C
|
C27H48N2O2 432.693000 |
WOFPCGJFVZCERV-FGQIZKSVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290650; PubChem:CID44325380
|
Local ready
Direct docking supported
|
|
E3L051164
BDB051164
|
BDBM50290651
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(O)c1)C(C)C
|
C26H46N2O3 434.665000 |
MGXVKTGFRCDQAA-BZVKRPRLSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290651; PubChem:CID10252386
|
Local ready
Direct docking supported
|
|
E3L051165
BDB051165
|
BDBM50290652
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@@H](CC)Cc1ccc(C(C)(C)C)cc1
|
C25H44N2O2 404.639000 |
GVTQVJCNZQGOEE-IUVWEZNMSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290652; PubChem:CID10069807
|
Local ready
Direct docking supported
|
|
E3L051166
BDB051166
|
BDBM50290653
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@@H](CC)Cc1ccc(C(C)(C)C)c(OCCCC)c1
|
C29H52N2O3 476.746000 |
LOLDSTKZCIAOHE-QFOUJXTQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290653; PubChem:CID44325350
|
Local ready
Direct docking supported
|
|
E3L051167
BDB051167
|
BDBM50290654
C=CCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C)C(=O)NCCCC)C(C)C)ccc1C(C)(C)C
|
C29H50N2O3 474.730000 |
CPAGCDHUPIIFQT-KCQQGECQSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290654; PubChem:CID10254333
|
Local ready
Direct docking supported
|
|
E3L051168
BDB051168
|
BDBM50290655
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)c(OCC(=O)O)c1)C(C)C
|
C28H48N2O5 492.701000 |
LVJBSCZZFJBUPM-SFWWNVFWSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290655; PubChem:CID10458380
|
Local ready
Direct docking supported
|
|
E3L051169
BDB051169
|
BDBM50290656
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(C(C)(C)C)cc1
|
C24H42N2O2 390.612000 |
CGYZFWRQCWHXOQ-OCPXOFMESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290656; PubChem:CID44325394
|
Local ready
Direct docking supported
|
|
E3L051170
BDB051170
|
BDBM50290657
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@H](Cc1ccc(C(C)(C)C)cc1)C(C)(C)C
|
C27H48N2O2 432.693000 |
HGAWDGAIKZLXDU-RXUSZAQGSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290657; PubChem:CID44325334
|
Local ready
Direct docking supported
|
|
E3L051171
BDB051171
|
BDBM50290658
CCCCNC(=O)C(C)C[C@H](O)[C@@H](N)C[C@@H](C)Cc1ccc(-c2ccccc2)cc1
|
C26H38N2O2 410.602000 |
OEBYYLYOQUNAQJ-KCBRQBPCSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50290658; PubChem:CID10093007
|
Local ready
Direct docking supported
|
|
E3L051172
BDB051172
|
BDBM50291960
O=C1/C(=C/c2ccccc2Br)CNC/C1=C\c1ccccc1Br
|
C19H15Br2NO 433.143000 |
SRIXJFUIIDOCNK-KAVGSWPWSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50291960; PubChem:CID52941456
|
Local ready
Direct docking supported
|
|
E3L051173
BDB051173
|
BDBM50292243
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1F
|
C21H25FN8O2 440.483000 |
IHGGWEBRARGZIY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292243; PubChem:CID145958579
|
Local ready
Direct docking supported
|
|
E3L051174
BDB051174
|
BDBM50292244
Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc(F)c(Cl)c3)n2)n[nH]1
|
C18H19ClFN7O 403.849000 |
AMMZKHYVESSTRS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292244; PubChem:CID145950876
|
Local ready
Direct docking supported
|
|
E3L051175
BDB051175
|
BDBM50292245
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(F)c(Cl)c3)n2)n[nH]1
|
C19H22ClFN8 416.892000 |
NKQFVOKSVRQZKX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292245; PubChem:CID145953211
|
Local ready
Direct docking supported
|
|
E3L051176
BDB051176
|
BDBM50292246
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(Cl)c(F)c3)n2)n[nH]1
|
C19H22ClFN8 416.892000 |
VUMVSNOKSXZEBS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292246; PubChem:CID145957403
|
Local ready
Direct docking supported
|
|
E3L051177
BDB051177
|
BDBM50292247
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(F)c(F)c3)n2)n[nH]1
|
C19H22F2N8 400.437000 |
GYJAQAMQCBBAPY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292247; PubChem:CID145950406
|
Local ready
Direct docking supported
|
|
E3L051178
BDB051178
|
BDBM50292248
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(F)cc3)n2)n[nH]1
|
C19H23FN8 382.447000 |
NIVIVGADJDEGJO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292248; PubChem:CID145959003
|
Local ready
Direct docking supported
|
|
E3L051179
BDB051179
|
BDBM50292249
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3cccc(F)c3)n2)n[nH]1
|
C19H23FN8 382.447000 |
QMPJPNBXRYVKQU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292249; PubChem:CID145954624
|
Local ready
Direct docking supported
|
|
E3L051180
BDB051180
|
BDBM50292250
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Nc3ccc(Cl)c(Cl)c3)n2)n[nH]1
|
C19H22Cl2N8 433.347000 |
GJAFGIYDCWQVAO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50292250; PubChem:CID72194531
|
Local ready
Direct docking supported
|