| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L037481
BDB037481
|
BDBM742013
CCN(CC#N)C(=O)c1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)[C@H](NC(=O)c1cccc(C(F)(F)F)c1)C(=O)N2CC
|
C33H28F4N6O3 632.618000 |
ULDXLFJFQBUAAM-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742013; PubChem:CID176733773
|
Local ready
Direct docking supported
|
|
E3L037482
BDB037482
|
BDBM742014
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(-c3ccccc3)c21
|
C34H28F4N6O3 644.629000 |
DNFIETWJOLRXQB-XCZPVHLTSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742014
|
Local ready
Direct docking supported
|
|
E3L037483
BDB037483
|
BDBM742015
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)C(c2ccc(F)cc2)c2c(C(=O)N(CC#N)C3COC3)nn(-c3ccccc3)c21
|
C34H28F4N6O4 660.628000 |
CFSQUQZPEXHOPN-RXBHZZDJSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742015
|
Local ready
Direct docking supported
|
|
E3L037484
BDB037484
|
BDBM742016
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-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742016
|
Local ready
Direct docking supported
|
|
E3L037485
BDB037485
|
BDBM742017
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CC(=O)OC)nn(-c3ccccc3)c21
|
C34H28F4N6O5 676.627000 |
GDDZXSDXDPIMPE-XCZPVHLTSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742017
|
Local ready
Direct docking supported
|
|
E3L037486
BDB037486
|
BDBM742018
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CCC(=O)OC)nn(-c3ccccc3)c21
|
C35H30F4N6O5 690.654000 |
DWAXNLYQTRMFLR-YTMVLYRLSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742018
|
Local ready
Direct docking supported
|
|
E3L037487
BDB037487
|
BDBM742019
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@H](C)C#N)nn(-c3ccccc3)c21
|
C33H28F4N6O3 632.618000 |
OXDYNUACIGHQDV-KAZGAHJFSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742019
|
Local ready
Direct docking supported
|
|
E3L037488
BDB037488
|
BDBM742020
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@@H](C#N)CCO)nn(-c3ccccc3)c21
|
C34H30F4N6O4 662.644000 |
KWBPHWRPGVMHLF-PBWSGDRGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742020
|
Local ready
Direct docking supported
|
|
E3L037489
BDB037489
|
BDBM742021
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@@H](C#N)C3COC3)nn(-c3ccccc3)c21
|
C35H30F4N6O4 674.655000 |
GFHAVGVGUYAIAL-YCVJPRETSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742021
|
Local ready
Direct docking supported
|
|
E3L037490
BDB037490
|
BDBM742022
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:BDBM742022
|
Local ready
Direct docking supported
|
|
E3L037491
BDB037491
|
BDBM742023
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(OCCCN4CC5(COC5)C4)c3)c21
|
C42H41F4N7O5 799.826000 |
JOUVLEOCYLPWTF-YXSDWHQUSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742023
|
Local ready
Direct docking supported
|
|
E3L037492
BDB037492
|
BDBM742024
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@@H](C#N)C3COC3)nn(-c3ccccc3)c21
|
C35H30F4N6O4 674.655000 |
GFHAVGVGUYAIAL-YCVJPRETSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742024
|
Local ready
Direct docking supported
|
|
E3L037493
BDB037493
|
BDBM742025
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-PBWSGDRGSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742025; PubChem:CID176733768
|
Local ready
Direct docking supported
|
|
E3L037494
BDB037494
|
BDBM742026
CCN1C(=O)[C@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(C(=O)N3CCOCC3C#N)nn(-c3ccccc3)c21
|
C34H28F4N6O4 660.628000 |
JKXIJGMPHCUSDJ-BODSDZGOSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742026; PubChem:CID176733784
|
Local ready
Direct docking supported
|
|
E3L037495
BDB037495
|
BDBM742027
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-NSVAZKTRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742027; PubChem:CID176733785
|
Local ready
Direct docking supported
|
|
E3L037496
BDB037496
|
BDBM742028
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(CC(=O)NCC#N)nn(-c3ccccc3)c21
|
C32H26F4N6O3 618.591000 |
CUBMTYJHSPQVRA-IAPPQJPRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742028; PubChem:CID176350729
|
Local ready
Direct docking supported
|
|
E3L037497
BDB037497
|
BDBM742029
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2)c2c(CNC(=O)CC#N)nn(-c3ccccc3)c21
|
C32H26F4N6O3 618.591000 |
YUNJVEQMQLOQTF-IAPPQJPRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742029; PubChem:CID176733786
|
Local ready
Direct docking supported
|
|
E3L037498
BDB037498
|
BDBM742030
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@@H](C)C#N)nn(-c3ccccc3)c21
|
C33H28F4N6O3 632.618000 |
OXDYNUACIGHQDV-BYGVMDBSSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742030
|
Local ready
Direct docking supported
|
|
E3L037499
BDB037499
|
BDBM742031
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(C)[C@H](C#N)CCO)nn(-c3ccccc3)c21
|
C34H30F4N6O4 662.644000 |
KWBPHWRPGVMHLF-NSVAZKTRSA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB
BindingDB:BDBM742031
|
Local ready
Direct docking supported
|
|
E3L037500
BDB037500
|
BDBM742032
CCN1C(=O)[C@@H](NC(=O)c2cccc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)c2c(C(=O)N(CC#N)CC#N)nn(-c3ccccc3)c21
|
C33H25F4N7O3 643.601000 |
TVKSJPZPCMPKOD-BDYUSTAISA-N | Q96GG9 | DCN1-like protein 1 |
BindingDB, PubChem
BindingDB:BDBM742032; PubChem:CID176733787
|
Local ready
Direct docking supported
|