| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018661
BDB018661
|
US10654853, Example 17
CNC(=O)c1ccc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)cc1
|
C21H20N4O2 360.417000 |
KRZFFVDSKFFVRY-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443244; PubChem:CID137479980
|
Local ready
Direct docking supported
|
|
E3L018662
BDB018662
|
US10654853, Example 18
N#CN1CCC2(Cc3ccc(-c4cccc(OCc5ccccc5Cl)c4)cc3NC2=O)C1
|
C26H22ClN3O2 443.934000 |
ALSNTBAFYRVIGH-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443245; PubChem:CID137480042
|
Local ready
Direct docking supported
|
|
E3L018663
BDB018663
|
US10654853, Example 19
CN1CCN(c2ccc(-c3ccc4c(c3)NC(=O)C3(CCN(C#N)C3)C4)cc2)CC1
|
C24H27N5O 401.514000 |
ODYUKQYCIUSFGA-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443246; PubChem:CID137378607
|
Local ready
Direct docking supported
|
|
E3L018664
BDB018664
|
US10654853, Example 20
COc1ccc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)cn1
|
C19H18N4O2 334.379000 |
SBPLLHNOXZWXLE-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443247; PubChem:CID137378566
|
Local ready
Direct docking supported
|
|
E3L018665
BDB018665
|
US10654853, Example 21
CC(C)Oc1ccc(F)cc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C22H22FN3O2 379.435000 |
RUOOVPGBINYOFX-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443248; PubChem:CID137378617
|
Local ready
Direct docking supported
|
|
E3L018666
BDB018666
|
BDBM443249
Cc1n[nH]c2cc(-c3ccc4c(c3)NC(=O)C3(CCN(C#N)C3)C4)ccc12
|
C21H19N5O 357.417000 |
RVVKHNWONHKZJO-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443249; PubChem:CID137378570
|
Local ready
Direct docking supported
|
|
E3L018667
BDB018667
|
US10654853, Example 23
N#CN1CCC2(Cc3ccc(-c4ccc(C(=O)N5CCNCC5)cc4)cc3NC2=O)C1
|
C24H25N5O2 415.497000 |
RXLOUIPLXUKHMP-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443250; PubChem:CID155490011
|
Local ready
Direct docking supported
|
|
E3L018668
BDB018668
|
US10654853, Example 24
Cn1ncc2cc(-c3ccc4c(c3)NC(=O)C3(CCN(C#N)C3)C4)ccc21
|
C21H19N5O 357.417000 |
SCKVIGBOAAMNEG-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443251; PubChem:CID137378635
|
Local ready
Direct docking supported
|
|
E3L018669
BDB018669
|
BDBM443252
Cc1ccc2[nH]ncc2c1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C21H19N5O 357.417000 |
KDZWETVEPVDWCE-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443252; PubChem:CID137378640
|
Local ready
Direct docking supported
|
|
E3L018670
BDB018670
|
US10654853, Example 26
N#CN1CCC2(Cc3ccc(-c4cccc(NS(=O)(=O)C5CC5)c4)cc3NC2=O)C1
|
C22H22N4O3S 422.510000 |
JEJUHENOZQMBPN-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443253; PubChem:CID137378699
|
Local ready
Direct docking supported
|
|
E3L018671
BDB018671
|
BDBM443254
Cc1n[nH]cc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C17H17N5O 307.357000 |
HQRBXZIPMCFPMY-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443254; PubChem:CID137479992
|
Local ready
Direct docking supported
|
|
E3L018672
BDB018672
|
US10654853, Example 28
N#CN1CCC2(Cc3ccc(-c4cncnc4)cc3NC2=O)C1
|
C17H15N5O 305.341000 |
JHIOEZVCYAPVFW-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443255; PubChem:CID137378613
|
Local ready
Direct docking supported
|
|
E3L018673
BDB018673
|
US10654853, Example 29
CC(=O)Nc1cccc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c1
|
C21H20N4O2 360.417000 |
NANUNTDQFUVSSF-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443256; PubChem:CID137378614
|
Local ready
Direct docking supported
|
|
E3L018674
BDB018674
|
US10654853, Example 30
CN(C)C(=O)c1cccc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)c1
|
C22H22N4O2 374.444000 |
ITXOIOBLXPJETJ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443257; PubChem:CID137378608
|
Local ready
Direct docking supported
|
|
E3L018675
BDB018675
|
US10654853, Example 31
CC(=O)Nc1ccc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)cc1
|
C21H20N4O2 360.417000 |
ZENZGXOYKNJRRS-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443258; PubChem:CID137378663
|
Local ready
Direct docking supported
|
|
E3L018676
BDB018676
|
US10654853, Example 32
N#CN1CCC2(Cc3ccc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc3NC2=O)C1
|
C23H24N4O4S 452.536000 |
UIMBORCBJIEWFU-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443259; PubChem:CID137479998
|
Local ready
Direct docking supported
|
|
E3L018677
BDB018677
|
BDBM443260
Cc1n[nH]c(C)c1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C18H19N5O 321.384000 |
VZEBSRCABIVIFS-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443260; PubChem:CID137479977
|
Local ready
Direct docking supported
|
|
E3L018678
BDB018678
|
US10654853, Example 34
Cc1cc(-c2ccc3c(c2)NC(=O)C2(CCN(C#N)C2)C3)ccn1
|
C19H18N4O 318.380000 |
HAZYXVWGGRPZLS-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443261; PubChem:CID137479937
|
Local ready
Direct docking supported
|
|
E3L018679
BDB018679
|
US10654853, Example 35
N#CN1CCC2(Cc3ccc(-c4cccc(N5CCCCC5)c4)cc3NC2=O)C1
|
C24H26N4O 386.499000 |
XLSOPVXQIKWFHM-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443262; PubChem:CID137480051
|
Local ready
Direct docking supported
|
|
E3L018680
BDB018680
|
US10654853, Example 36
CC(=O)Nc1ccccc1-c1ccc2c(c1)NC(=O)C1(CCN(C#N)C1)C2
|
C21H20N4O2 360.417000 |
QZNZMTLRZYPCFT-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443263; PubChem:CID137479981
|
Local ready
Direct docking supported
|