| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037521
BDB037521
|
BDBM742053
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCN3CCN(C4COC4)CC3)nn(-c3ccccc3)c21
|
C40H40F4N8O4 772.804000 |
ITQLHKWAXAXRNA-TWJUONSBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742053
|
Local ready
Direct docking supported
|
|
E3L037522
BDB037522
|
BDBM742054
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCN3CC4CCC(C3)O4)nn(-c3ccccc3)c21
|
C39H37F4N7O4 743.762000 |
KTHBSICYETTYCO-SOYAFRLHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742054
|
Local ready
Direct docking supported
|
|
E3L037523
BDB037523
|
BDBM742055
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCS(=O)(=O)CC3C#N)nn(-c3ccccc3)c21
|
C34H28F4N6O5S 708.694000 |
NWHJAXHWJMYYGH-KKGVWULHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742055
|
Local ready
Direct docking supported
|
|
E3L037524
BDB037524
|
BDBM742056
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(-c3ccccc3)c21
|
C32H29F3N6O3 602.617000 |
OGWFTFMPUPVCFB-JTIVYOABSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742056
|
Local ready
Direct docking supported
|
|
E3L037525
BDB037525
|
BDBM742057
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(C3CC3)c21
|
C29H29F3N6O3 566.584000 |
HNCWARWKESXPRG-QRDGOAKLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742057
|
Local ready
Direct docking supported
|
|
E3L037526
BDB037526
|
BDBM742058
CCCn1nc(C(=O)N2[C@H](C#N)C[C@H]3C[C@H]32)c2c1N(CC)C(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]2C1CC1
|
C29H31F3N6O3 568.600000 |
QWUYTENTMPYEIN-BYGOBXPBSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742058
|
Local ready
Direct docking supported
|
|
E3L037527
BDB037527
|
BDBM742059
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(C3CCOCC3)c21
|
C34H32F4N6O4 664.660000 |
JSRSZFSQXNTQHI-VRTVZIHNSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742059
|
Local ready
Direct docking supported
|
|
E3L037528
BDB037528
|
BDBM742060
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(C3CC3)c21
|
C32H28F4N6O3 620.607000 |
MBJKTMOHNVSULH-LEMFMMQHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742060
|
Local ready
Direct docking supported
|
|
E3L037529
BDB037529
|
BDBM742061
CCCn1nc(C(=O)N2[C@H](C#N)C[C@H]3C[C@H]32)c2c1N(CC)C(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]2c1ccc(F)cc1
|
C32H30F4N6O3 622.623000 |
SZSFIWCSADTGQV-JTIVYOABSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742061
|
Local ready
Direct docking supported
|
|
E3L037530
BDB037530
|
BDBM742062
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(C3CCOCC3)c21
|
C32H31F4N7O4 653.637000 |
FGEYHDCBXXTZQF-CVJWPJSTSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742062
|
Local ready
Direct docking supported
|
|
E3L037531
BDB037531
|
BDBM742063
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2F)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(C3CCOCC3)c21
|
C33H31F5N6O4 670.639000 |
VVCDPJVXGILDPD-DDZLNHKNSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742063
|
Local ready
Direct docking supported
|
|
E3L037532
BDB037532
|
BDBM742064
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCNCC3C#N)nn(C3CCOCC3)c21
|
C33H33F4N7O4 667.664000 |
NWKLEUNNRSEEIU-XICMLOBYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742064; PubChem:CID176350482
|
Local ready
Direct docking supported
|
|
E3L037533
BDB037533
|
BDBM742065
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(OCCCN(C)C4COC4)c3)c21
|
C41H41F4N7O5 787.815000 |
ITPDXFSDJPHXCK-JTNQQTAUSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742065
|
Local ready
Direct docking supported
|
|
E3L037534
BDB037534
|
BDBM742066
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(OCCCN4CCC5(CC4)COC5)c3)c21
|
C44H45F4N7O5 827.880000 |
OMZNODFUSYBJOY-XQNIWRTKSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742066
|
Local ready
Direct docking supported
|
|
E3L037535
BDB037535
|
BDBM742067
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(OCCCN4CCN(C5COC5)CC4)c3)c21
|
C44H46F4N8O5 842.895000 |
XTNUIIJSVVNYQA-BQKXBGLYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742067
|
Local ready
Direct docking supported
|
|
E3L037536
BDB037536
|
BDBM742068
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-YXSDWHQUSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742068
|
Local ready
Direct docking supported
|
|
E3L037537
BDB037537
|
BDBM742069
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(OCCN4CCOCC4)c3)c21
|
C40H39F4N7O5 773.788000 |
CTQFNUNPPIICAC-AUNWAZDDSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742069
|
Local ready
Direct docking supported
|
|
E3L037538
BDB037538
|
BDBM742070
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(OCCN4CCN(C5COC5)CC4)c3)c21
|
C43H44F4N8O5 828.868000 |
CBVIRYIWOBGKSJ-MPRBNCHYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742070
|
Local ready
Direct docking supported
|
|
E3L037539
BDB037539
|
BDBM742071
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(OCCN4CCC5(CC4)COC5)c3)c21
|
C43H43F4N7O5 813.853000 |
HNKRYPNJKXBKQM-MTFQNXCDSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742071
|
Local ready
Direct docking supported
|
|
E3L037540
BDB037540
|
BDBM742072
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(OCCN4CC5(COC5)C4)c3)c21
|
C41H39F4N7O5 785.799000 |
TYHQFKXFPPLJDO-AUNWAZDDSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742072
|
Local ready
Direct docking supported
|