| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037801
BDB037801
|
BDBM742333
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C)CC[C@H]3C#N)nn(C3CCOCC3)c21
|
C31H35F3N6O4 612.653000 |
KNGNCULZPNZSGY-UTAGYXNQSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742333
|
Local ready
Direct docking supported
|
|
E3L037802
BDB037802
|
BDBM742334
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN3C(=O)CCC3C#N)nn(-c3ccccc3)c21
|
C34H28F4N6O3 644.629000 |
LJRNCONHSKXZKK-VCOQBHNVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742334
|
Local ready
Direct docking supported
|
|
E3L037803
BDB037803
|
BDBM742335
CCN1C(=O)[C@@H](NC(=O)c2cc(F)ccc2C(F)(F)F)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H32F4N6O4 628.627000 |
ZHEZPVZNOAGMOY-SAIMINIZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742335
|
Local ready
Direct docking supported
|
|
E3L037804
BDB037804
|
BDBM742336
CCN1C(=O)[C@@H](NC(=O)c2cccn(C3CC3)c2=O)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C32H37N7O5 599.692000 |
UVIVCMHZTZXUQB-YPLZHZQPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742336
|
Local ready
Direct docking supported
|
|
E3L037805
BDB037805
|
BDBM742337
CCN1C(=O)[C@@H](NC(=O)c2cccn(C3CC3)c2=O)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C32H37N7O5 599.692000 |
UVIVCMHZTZXUQB-YPLZHZQPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742337
|
Local ready
Direct docking supported
|
|
E3L037806
BDB037806
|
BDBM742338
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3CC(=O)C[C@H]3C#N)nn(C3CCOCC3)c21
|
C30H31F3N6O5 612.609000 |
LGQIJMXAQBDBEC-SSPYTLHUSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742338
|
Local ready
Direct docking supported
|
|
E3L037807
BDB037807
|
BDBM742339
CCN1C(=O)[C@@H](NC(=O)c2ccc(C)c(C(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
|
C32H35F3N6O4 624.664000 |
MSDBEUXWWZVUCU-ZCQCUXIGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742339
|
Local ready
Direct docking supported
|
|
E3L037808
BDB037808
|
BDBM742340
CCN1C(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H36N6O5 572.666000 |
VSKMYLONTXWWGV-WOZFTVQESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742340
|
Local ready
Direct docking supported
|
|
E3L037809
BDB037809
|
BDBM742341
CCN1C(=O)[C@@H](NC(=O)CN2CC(c3ccccc3)CC2=O)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C35H41N7O5 639.757000 |
PIPJJIPZYLRGCZ-RRPQLMTESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742341
|
Local ready
Direct docking supported
|
|
E3L037810
BDB037810
|
BDBM742342
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([C@H]3CCOC3)c21
|
C33H30F4N6O4 650.633000 |
OREQYUODEAONAK-CKGAQDEVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742342
|
Local ready
Direct docking supported
|
|
E3L037811
BDB037811
|
BDBM742343
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCC=C3C#N)nn(C3CCOCC3)c21
|
C33H30F4N6O4 650.633000 |
HNDWLSFNCSMDEN-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742343
|
Local ready
Direct docking supported
|
|
E3L037812
BDB037812
|
BDBM742344
CCN1C(=O)[C@@H](NC(=O)c2ccc3[nH]cnc3c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C31H34N8O4 582.665000 |
OCVJMVNZXXLLTD-PCUMXSHXSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742344
|
Local ready
Direct docking supported
|
|
E3L037813
BDB037813
|
BDBM742345
CCN1C(=O)[C@@H](NC(=O)c2cccc3c2CCCO3)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C33H38N6O5 598.704000 |
GZGJENHKPSDDRC-IZASPZLVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742345
|
Local ready
Direct docking supported
|
|
E3L037814
BDB037814
|
BDBM742346
CCN1C(=O)[C@@H](NC(=O)[C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CCOCC3)c21
|
C35H43N7O4 625.774000 |
JVSYBGCXXLJSQO-YUXUJVJVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742346
|
Local ready
Direct docking supported
|
|
E3L037815
BDB037815
|
BDBM742347
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CNC/C=C/C(=O)OC(C)(C)C)nn(-c3ccccc3)c21
|
C37H37F4N5O4 691.726000 |
DUOURXCAXJSCRF-XNVHNMQFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742347
|
Local ready
Direct docking supported
|
|
E3L037816
BDB037816
|
BDBM742348
C=C(CN1CCC1)C(=O)NCc1nn(-c2ccccc2)c2c1[C@@H](C1CC1)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N2CC
|
C33H35F3N6O3 620.676000 |
AUIOZJPEALPHKL-IXCJQBJRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742348
|
Local ready
Direct docking supported
|
|
E3L037817
BDB037817
|
BDBM742349
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c([C@@H](C)NC#N)nn(-c3ccccc3)c21
|
C31H26F4N6O2 590.581000 |
YQFLIGVZAKRBBT-AKRGNFOKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742349; PubChem:CID176734070
|
Local ready
Direct docking supported
|
|
E3L037818
BDB037818
|
BDBM742350
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(CN(C)C/C=C/C(=O)N(C)C)nn(-c3ccccc3)c21
|
C36H36F4N6O3 676.715000 |
IPHALFSKEYCXLR-XNVHNMQFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742350
|
Local ready
Direct docking supported
|
|
E3L037819
BDB037819
|
BDBM742351
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCO)nn(-c3ccccc3)c21
|
C33H28F4N6O4 648.617000 |
XNJAWLGVPAOHPL-XNMGPUDCSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742351
|
Local ready
Direct docking supported
|
|
E3L037820
BDB037820
|
BDBM742352
CCN1C(=O)[C@@H](NC(=O)c2nccc(C(F)(F)F)n2)[C@H](c2ccc(F)cc2)c2c(CC(=O)N(C)CC#N)nn(-c3ccccc3)c21
|
C31H26F4N8O3 634.594000 |
ZZLXZEMDJABAQW-RSXGOPAZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742352
|
Local ready
Direct docking supported
|