| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L050081
BDB050081
|
BDBM50259411
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(C(F)(F)F)c3)n2n1
|
C17H17F3N4O 350.344000 |
AMUFSGPBIFOSNV-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259411; PubChem:CID137644802
|
Local ready
Direct docking supported
|
|
E3L050082
BDB050082
|
BDBM50259412
CC[C@@H](CO)Nc1ccc2ncc(/C=C/c3cccc(C(F)(F)F)c3)n2n1
|
C19H19F3N4O 376.382000 |
GWGKDCYRVAQDDJ-LFAOLKIESA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259412; PubChem:CID137645947
|
Local ready
Direct docking supported
|
|
E3L050083
BDB050083
|
BDBM50259413
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(Cl)c3)n2n1
|
C16H17ClN4O 316.792000 |
KAGWQDFFFLWBFD-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259413; PubChem:CID137658187
|
Local ready
Direct docking supported
|
|
E3L050084
BDB050084
|
BDBM50259414
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(N)c3)n2n1
|
C16H19N5O 297.362000 |
PSHWYQXGQNRHHK-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259414; PubChem:CID137643955
|
Local ready
Direct docking supported
|
|
E3L050085
BDB050085
|
BDBM50259415
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(NC(C)=O)c3)n2n1
|
C18H21N5O2 339.399000 |
YGXHQYJKJUFSJI-AWEZNQCLSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259415; PubChem:CID137635926
|
Local ready
Direct docking supported
|
|
E3L050086
BDB050086
|
BDBM50259416
CC[C@@H](CO)Nc1ccc2ncc(-c3cccc(SC)c3)n2n1
|
C17H20N4OS 328.441000 |
LZRHAZRGHSSHLR-ZDUSSCGKSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50259416; PubChem:CID137643721
|
Local ready
Direct docking supported
|
|
E3L050087
BDB050087
|
BDBM50259417
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)NCc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C34H39N3O5 569.702000 |
QKIXHMCRPGXZIK-GRKNLSHJSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259417; PubChem:CID44158124
|
Local ready
Direct docking supported
|
|
E3L050088
BDB050088
|
BDBM50259418
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(=O)Cc4ccc(Cl)cc4)C[C@@H](C2)N3)cc1
|
C41H43Cl2N3O5 728.717000 |
RWPWTDYOGAJQQG-PZSMLTKBSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259418
|
Local ready
Direct docking supported
|
|
E3L050089
BDB050089
|
BDBM50259419
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(S(=O)(=O)Cc4ccccc4)C[C@@H](C2)N3)cc1
|
C40H44ClN3O6S 730.327000 |
GYAFYHGUVYTAJG-PZSMLTKBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259419; PubChem:CID44158061
|
Local ready
Direct docking supported
|
|
E3L050090
BDB050090
|
BDBM50259420
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(=O)Cc4cccs4)C[C@@H](C2)N3)cc1
|
C39H42ClN3O5S 700.301000 |
BHRDCMDLPOMRDO-QTQRRKOQSA-N | P00797 | Renin |
BindingDB
BindingDB:BDBM50259420
|
Local ready
Direct docking supported
|
|
E3L050091
BDB050091
|
BDBM50259421
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C35H40ClN3O5 618.174000 |
DLWJJWDDLZYACA-AKGWNBJDSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259421; PubChem:CID44158063
|
Local ready
Direct docking supported
|
|
E3L050092
BDB050092
|
BDBM50259422
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C)C[C@@H](C2)N3)cc1
|
C34H40ClN3O4 590.164000 |
MSCHGOQQFZZRLE-DLFZDVPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259422; PubChem:CID44158121
|
Local ready
Direct docking supported
|
|
E3L050093
BDB050093
|
BDBM50259423
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CNC[C@@H](C2)N3)cc1
|
C33H38ClN3O4 576.137000 |
WIGCDOZNNROXAX-PDDLMNHVSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259423; PubChem:CID44157990
|
Local ready
Direct docking supported
|
|
E3L050094
BDB050094
|
BDBM50259424
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)NCc3ccccc3Cl)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C34H38ClN3O5 604.147000 |
YMOHKWJTFCXWAK-DLFZDVPBSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259424; PubChem:CID44158195
|
Local ready
Direct docking supported
|
|
E3L050095
BDB050095
|
BDBM50259425
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C35H41N3O5 583.729000 |
YCHCQQAZGGXUFD-QLWXXVCSSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259425; PubChem:CID10483414
|
Local ready
Direct docking supported
|
|
E3L050096
BDB050096
|
BDBM50259426
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)CCc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C36H43N3O5 597.756000 |
RILASFCKKNXOEA-LXANVCGNSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259426; PubChem:CID44157991
|
Local ready
Direct docking supported
|
|
E3L050097
BDB050097
|
BDBM50259427
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)CCCc3ccccc3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C37H45N3O5 611.783000 |
AQXPIUJPCSCATB-QIKUIUABSA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259427; PubChem:CID44158196
|
Local ready
Direct docking supported
|
|
E3L050098
BDB050098
|
BDBM50259428
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccccc3Cl)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C37H42ClN3O5 644.212000 |
ZSRPGLIIGIWYRJ-ANHUGMMASA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259428; PubChem:CID44157992
|
Local ready
Direct docking supported
|
|
E3L050099
BDB050099
|
BDBM50259429
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3cccc(Cl)c3)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C37H42ClN3O5 644.212000 |
BKKPSZFMFYYZLZ-KAODMTDESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259429; PubChem:CID44158197
|
Local ready
Direct docking supported
|
|
E3L050100
BDB050100
|
BDBM50259430
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(Cc3ccc(Cl)cc3)C3CC3)[C@H]3CN(C(C)=O)C[C@@H](C2)N3)cc1
|
C37H42ClN3O5 644.212000 |
MYAYZDYFUQVQJV-KAODMTDESA-N | P00797 | Renin |
BindingDB, PubChem
BindingDB:BDBM50259430; PubChem:CID44158056
|
Local ready
Direct docking supported
|