| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037581
BDB037581
|
BDBM742113
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3CCNC[C@H]3C#N)nn(-c3ccccc3)c21
|
C31H30F3N7O3 605.621000 |
UEGOAVPJLQGXRL-CUYJMHBOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742113; PubChem:CID176733861
|
Local ready
Direct docking supported
|
|
E3L037582
BDB037582
|
BDBM742114
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(C3CCOCC3)c21
|
C32H30F4N6O4 638.622000 |
FFQXMLIKADTECR-GNKBHMEESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742114
|
Local ready
Direct docking supported
|
|
E3L037583
BDB037583
|
BDBM742115
N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)c1nn(C2CCOCC2)c2c1[C@H](C1CC1)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N2
|
C29H29F3N6O4 582.583000 |
LIFWKYHUBXCGOR-QRDGOAKLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742115
|
Local ready
Direct docking supported
|
|
E3L037584
BDB037584
|
BDBM742116
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C29H31F3N6O4 584.599000 |
LSQZUIWTYQIJEX-RLOAOAGJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742116
|
Local ready
Direct docking supported
|
|
E3L037585
BDB037585
|
BDBM742117
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C29H31F3N6O4 584.599000 |
LSQZUIWTYQIJEX-RLOAOAGJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742117
|
Local ready
Direct docking supported
|
|
E3L037586
BDB037586
|
BDBM742118
N#C[C@@H]1C[C@H]2C[C@H]2N1C(=O)c1nn(C2CCOCC2)c2c1[C@H](C1CC1)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N2C1CC1
|
C32H33F3N6O4 622.648000 |
WXLQLANMNWAWSQ-LEMFMMQHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742118
|
Local ready
Direct docking supported
|
|
E3L037587
BDB037587
|
BDBM742119
CCN1C(=O)[C@@H](NC(=O)c2cccc(SC(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H33F3N6O4S 642.704000 |
ZZJJAJZNXNOFBC-IMZPRDNVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742119
|
Local ready
Direct docking supported
|
|
E3L037588
BDB037588
|
BDBM742120
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)n2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C30H32F3N7O4 611.625000 |
FWYXSAOJMFQGNW-SEBFVXGVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742120
|
Local ready
Direct docking supported
|
|
E3L037589
BDB037589
|
BDBM742121
CCN1C(=O)[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C33H38N6O4 582.705000 |
HCZVGPHLYBWTSV-NPNDYVEYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742121
|
Local ready
Direct docking supported
|
|
E3L037590
BDB037590
|
BDBM742122
CCN1C(=O)[C@@H](NC(=O)c2csc(C(F)(F)F)n2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C28H30F3N7O4S 617.654000 |
INFCXUOMDCVIBU-SEISSGSVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742122
|
Local ready
Direct docking supported
|
|
E3L037591
BDB037591
|
BDBM742123
CCN1C(=O)[C@@H](NC(=O)c2cccc(CI)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H35IN6O4 682.563000 |
JXGPCEUWIUSQHM-UDODTCMPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742123
|
Local ready
Direct docking supported
|
|
E3L037592
BDB037592
|
BDBM742124
CCN1C(=O)[C@@H](NC(=O)c2cccc3c2OCCC3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C33H38N6O5 598.704000 |
LDWLUEBMLJFKOS-IHOQYFLRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742124
|
Local ready
Direct docking supported
|
|
E3L037593
BDB037593
|
BDBM742125
CCN1C(=O)[C@@H](NC(=O)c2cccc(OC)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H36N6O5 572.666000 |
YVPYRFPQWMQPDQ-ZCQCUXIGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742125
|
Local ready
Direct docking supported
|
|
E3L037594
BDB037594
|
BDBM742126
CCN1C(=O)[C@@H](NC(=O)c2cccc(OC(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H33F3N6O5 626.636000 |
PADGUHQBKJIOMA-IMZPRDNVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742126
|
Local ready
Direct docking supported
|
|
E3L037595
BDB037595
|
BDBM742127
CCN1C(=O)[C@@H](NC(=O)c2cccc3c2OCO3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H34N6O6 586.649000 |
UMQLHDDORFWBRR-HELRIWKGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742127
|
Local ready
Direct docking supported
|
|
E3L037596
BDB037596
|
BDBM742128
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)CC#N)nn(-c3ccccc3)c21
|
C32H26F4N6O3 618.591000 |
XHUPSAAYBQZLFE-AHWVRZQESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742128
|
Local ready
Direct docking supported
|
|
E3L037597
BDB037597
|
BDBM742129
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c([C@@H](CCCO)NC#N)nn(-c3ccccc3)c21
|
C33H30F4N6O3 634.634000 |
BDKPFESXLGAMDE-ALTZYDRJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742129; PubChem:CID176733873
|
Local ready
Direct docking supported
|
|
E3L037598
BDB037598
|
BDBM742130
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CNC/C=C/C(=O)N3CCCC3)nn(-c3ccccc3)c21
|
C37H36F4N6O3 688.726000 |
YTOWRNMRCVYKIP-ZYFHZMQZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742130
|
Local ready
Direct docking supported
|
|
E3L037599
BDB037599
|
BDBM742131
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(C3CCOCC3)c21
|
C33H32F4N6O4 652.649000 |
FDNNLJBTLGVBCI-ZWEKWIFMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742131
|
Local ready
Direct docking supported
|
|
E3L037600
BDB037600
|
BDBM742132
C=C(CC#N)N(C)Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)[C@H](NC(=O)c1nccc(C(F)(F)F)n1)C(=O)N2CC
|
C32H28F4N8O2 632.622000 |
BJUGPTHKGYGQPX-VPUSJEBWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742132
|
Local ready
Direct docking supported
|