| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037721
BDB037721
|
BDBM742253
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCNC[C@@H]3C#N)nn(-c3ccccc3)c21
|
C34H29F4N7O3 659.644000 |
PLWOQUBGVYZUAN-ZRRKCSAHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742253; PubChem:CID176733988
|
Local ready
Direct docking supported
|
|
E3L037722
BDB037722
|
BDBM742254
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CC[C@H]3C#N)nn(-c3ccccc3)c21
|
C33H26F4N6O3 630.602000 |
REMVZQXSUCEBHI-ZWEKWIFMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742254; PubChem:CID176733989
|
Local ready
Direct docking supported
|
|
E3L037723
BDB037723
|
BDBM742255
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c([C@@H](C)N(C#N)C(=O)OCCN3CCN(C)CC3)nn(-c3ccccc3)c21
|
C39H40F4N8O4 760.793000 |
QNKYVVBITCJQDN-NTXUOTHFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742255
|
Local ready
Direct docking supported
|
|
E3L037724
BDB037724
|
BDBM742256
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CCN(C#N)CCO)nn(-c3ccccc3)c21
|
C33H30F4N6O3 634.634000 |
LSDONXJGDBLCDG-YTMVLYRLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742256
|
Local ready
Direct docking supported
|
|
E3L037725
BDB037725
|
BDBM742257
CCN1C(=O)[C@@](C)(NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c([C@@H](C)NC#N)nn(-c3ccccc3)c21
|
C32H28F4N6O2 604.608000 |
SFGKXJCJBJVFOF-JSXXVDJESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742257; PubChem:CID176733992
|
Local ready
Direct docking supported
|
|
E3L037726
BDB037726
|
BDBM742258
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCOC[C@H]3C#N)nn(-c3ccccc3)c21
|
C34H28F4N6O4 660.628000 |
JKXIJGMPHCUSDJ-STROYTFGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742258; PubChem:CID176733993
|
Local ready
Direct docking supported
|
|
E3L037727
BDB037727
|
BDBM742259
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(-c3ccccc3)c21
|
C35H28F4N6O3 656.640000 |
PWASXLPRYQFWPQ-DBRBMEJGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742259
|
Local ready
Direct docking supported
|
|
E3L037728
BDB037728
|
BDBM742260
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)C(C)=O)nn(-c3ccccc3)c21
|
C33H26F4N6O4 646.601000 |
MPHCNFHAKIQRHG-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742260
|
Local ready
Direct docking supported
|
|
E3L037729
BDB037729
|
BDBM742261
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N(C)C(C)C#N)nn(-c3ccccc3)c21
|
C30H29F3N6O3 578.595000 |
AEJGIEGQSPCGJK-TWWXXLKNSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742261; PubChem:CID176733996
|
Local ready
Direct docking supported
|
|
E3L037730
BDB037730
|
BDBM742262
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(-c3cccc(OCCCN4CCOCC4)c3)c21
|
C41H41F4N7O5 787.815000 |
UIKRBKZUBOCLBW-LWKLBADKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742262
|
Local ready
Direct docking supported
|
|
E3L037731
BDB037731
|
BDBM742263
CCN1C(=O)[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C26H34N6O6S 558.661000 |
XGADHIHNERNTGY-DWHDJPSKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742263
|
Local ready
Direct docking supported
|
|
E3L037732
BDB037732
|
BDBM742264
CCN1C(=O)[C@@H](NC(=O)c2ccc3c(c2)CCO3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C32H36N6O5 584.677000 |
DNSYUHJBGQCTFE-GRIITUMPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742264
|
Local ready
Direct docking supported
|
|
E3L037733
BDB037733
|
BDBM742265
CCN1C(=O)[C@@H](NC(=O)[C@@H]2CCc3nccc(=O)n32)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H36N8O5 600.680000 |
ULKDNWFCARVGAH-MMAQBVKRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742265
|
Local ready
Direct docking supported
|
|
E3L037734
BDB037734
|
BDBM742266
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N(C)[C@@H](C)C#N)nn(C3CCOCC3)c21
|
C29H33F3N6O4 586.615000 |
AOOYCWUTCINLBX-YROCYRMSSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742266
|
Local ready
Direct docking supported
|
|
E3L037735
BDB037735
|
BDBM742267
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N(C)[C@@H](C#N)CCN(C)C)nn(C3CCOCC3)c21
|
C32H40F3N7O4 643.711000 |
OCDMNRPVRCWTFW-USZFVNFHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742267
|
Local ready
Direct docking supported
|
|
E3L037736
BDB037736
|
BDBM742268
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3CCOC[C@@H]3C#N)nn(C3CCOCC3)c21
|
C30H33F3N6O5 614.625000 |
VMNSTQYXEPUSQN-FIXSFTCYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742268; PubChem:CID176734002
|
Local ready
Direct docking supported
|
|
E3L037737
BDB037737
|
BDBM742269
CCc1cccc(C(=O)N[C@@H]2C(=O)N(CC)c3c(c(C(=O)N4[C@H](C#N)C[C@H]5C[C@H]54)nn3C3CCOCC3)[C@@H]2C2CC2)c1
|
C32H38N6O4 570.694000 |
CCIHFBUFHGZPMX-RTUIDXTOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742269
|
Local ready
Direct docking supported
|
|
E3L037738
BDB037738
|
BDBM742270
CCN1C(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C30H34N6O4 542.640000 |
AFRWLUXRHFCDPH-BRGVPEGFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742270
|
Local ready
Direct docking supported
|
|
E3L037739
BDB037739
|
BDBM742271
CCN1C(=O)[C@@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C34H40N6O5 612.731000 |
BZURJNZJHBGZIS-AGJDJTJYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742271
|
Local ready
Direct docking supported
|
|
E3L037740
BDB037740
|
BDBM742272
CCN1C(=O)[C@@H](NC(=O)CC#N)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C26H31N7O4 505.579000 |
PERPWMXXFBKYHN-DWHDJPSKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742272
|
Local ready
Direct docking supported
|