| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037541
BDB037541
|
BDBM742073
CCN1C(=O)[C@@H](NC(=O)c2ccn(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCC[C@H]3C#N)nn(-c3ccccc3)c21
|
C31H26F4N8O3 634.594000 |
MSWNEJOTIODMCK-RSEQLOHWSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742073
|
Local ready
Direct docking supported
|
|
E3L037542
BDB037542
|
BDBM742074
CCN1C(=O)[C@@H](NC(=O)c2ccn(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3[C@H](C#N)C[C@H]4C[C@H]43)nn(-c3ccccc3)c21
|
C32H26F4N8O3 646.605000 |
XODRIOJLFUXFJZ-YPLZHZQPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742074
|
Local ready
Direct docking supported
|
|
E3L037543
BDB037543
|
BDBM742075
CCN1C(=O)[C@@H](NC(=O)c2ccn(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCOC[C@H]3C#N)nn(-c3ccccc3)c21
|
C31H26F4N8O4 650.593000 |
LCCVXKRGGBEOGN-VTZPFEBOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742075
|
Local ready
Direct docking supported
|
|
E3L037544
BDB037544
|
BDBM742076
CCN1C(=O)[C@@H](NC(=O)c2ccn(C(F)(F)F)n2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCNC[C@H]3C#N)nn(-c3ccccc3)c21
|
C31H27F4N9O3 649.609000 |
FXXWXMIJKRZQBC-VTZPFEBOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742076
|
Local ready
Direct docking supported
|
|
E3L037545
BDB037545
|
BDBM742077
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(OCCN(C)C4COC4)c3)c21
|
C40H39F4N7O5 773.788000 |
TWOCSXRSVRAXFV-NMUBOZGASA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742077
|
Local ready
Direct docking supported
|
|
E3L037546
BDB037546
|
BDBM742078
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](C2CC2)c2c(C(=O)N3CCC[C@H]3C#N)nn(C3CCOCC3)c21
|
C30H33F3N6O4 598.626000 |
SWXJDPWXMRIGGH-FIXSFTCYSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742078; PubChem:CID176733829
|
Local ready
Direct docking supported
|
|
E3L037547
BDB037547
|
BDBM742079
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(C3CCOCC3)c21
|
C29H33F3N6O4 586.615000 |
AOOYCWUTCINLBX-JOVCLPEHSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742079
|
Local ready
Direct docking supported
|
|
E3L037548
BDB037548
|
BDBM742080
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-KLJDGLGGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742080
|
Local ready
Direct docking supported
|
|
E3L037549
BDB037549
|
BDBM742081
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)C3CC3)nn(C3CCOCC3)c21
|
C33H32F4N6O4 652.649000 |
IOBLTZWFQVLBKG-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742081
|
Local ready
Direct docking supported
|
|
E3L037550
BDB037550
|
BDBM742082
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCN(C)C)nn(C3CCOCC3)c21
|
C34H37F4N7O4 683.707000 |
JIXRCHACCDVQTP-XCZPVHLTSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742082
|
Local ready
Direct docking supported
|
|
E3L037551
BDB037551
|
BDBM742083
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCCN(C)C)nn(C3CCOCC3)c21
|
C35H39F4N7O4 697.734000 |
QVYZPCNIGZJJGT-YTMVLYRLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742083
|
Local ready
Direct docking supported
|
|
E3L037552
BDB037552
|
BDBM742084
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(C3CC3)c21
|
C31H28F4N6O3 608.596000 |
AVMGWHDHVICJDT-LSQMVHIFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742084
|
Local ready
Direct docking supported
|
|
E3L037553
BDB037553
|
BDBM742085
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)C3CC3)nn(C3CC3)c21
|
C31H28F4N6O3 608.596000 |
JTZSKTVCQPZTCR-ZCYQVOJMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742085
|
Local ready
Direct docking supported
|
|
E3L037554
BDB037554
|
BDBM742086
CCCn1nc(C(=O)N(CC#N)C2CC2)c2c1N(CC)C(=O)[C@@H](NC(=O)c1cccc(C(F)(F)F)c1)[C@H]2c1ccc(F)cc1
|
C31H30F4N6O3 610.612000 |
SCJKBKRLDMUTKC-ZCYQVOJMSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742086
|
Local ready
Direct docking supported
|
|
E3L037555
BDB037555
|
BDBM742087
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CCN(C4COC4)CC3C#N)nn(-c3ccccc3)c21
|
C37H33F4N7O4 715.708000 |
WNAHOLRJIVLXOW-FCVAVIOVSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742087
|
Local ready
Direct docking supported
|
|
E3L037556
BDB037556
|
BDBM742088
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3C[C@H](OC)C[C@H]3C#N)nn(C3CCOCC3)c21
|
C34H34F4N6O5 682.675000 |
IMPGWONKVOANHY-RVUATISTSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742088
|
Local ready
Direct docking supported
|
|
E3L037557
BDB037557
|
BDBM742089
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CC[C@H](OC)[C@H]3C#N)nn(C3CCOCC3)c21
|
C34H34F4N6O5 682.675000 |
ZBIRQADXEZADRC-KAHNYGAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742089
|
Local ready
Direct docking supported
|
|
E3L037558
BDB037558
|
BDBM742090
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3C[C@H](F)C[C@H]3C#N)nn(C3CCOCC3)c21
|
C33H31F5N6O4 670.639000 |
WFYJQJWOVMWDCS-TXKDVJNZSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742090
|
Local ready
Direct docking supported
|
|
E3L037559
BDB037559
|
BDBM742091
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N3CC(F)(F)C[C@H]3C#N)nn(C3CCOCC3)c21
|
C33H30F6N6O4 688.629000 |
HLIHNEYVOMZHHR-GNKBHMEESA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742091
|
Local ready
Direct docking supported
|
|
E3L037560
BDB037560
|
BDBM742092
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(C3COC3)c21
|
C32H28F4N6O4 636.606000 |
SDBQAHAJFWJQBJ-YPLZHZQPSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742092
|
Local ready
Direct docking supported
|