| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018741
BDB018741
|
US10654853, Example 99
N#CN1CCC2(Cc3cc(-c4ccccc4Oc4ccccc4)ccc3NC2=O)C1
|
C25H21N3O2 395.462000 |
VXSGEOWEDUVYRZ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443326; PubChem:CID155490015
|
Local ready
Direct docking supported
|
|
E3L018742
BDB018742
|
US10654853, Example 100
CNC(=O)c1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cc1
|
C21H20N4O2 360.417000 |
UXOPSHICRSEBDJ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443327; PubChem:CID137378558
|
Local ready
Direct docking supported
|
|
E3L018743
BDB018743
|
US10654853, Example 101
COc1ccc(C(C)C)cc1-c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C23H25N3O2 375.472000 |
FJLKUWRZZFHSMF-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443328; PubChem:CID137378693
|
Local ready
Direct docking supported
|
|
E3L018744
BDB018744
|
US10654853, Example 102
N#CN1CCC2(Cc3cc(-c4cccc(OCc5ccccc5Cl)c4)ccc3NC2=O)C1
|
C26H22ClN3O2 443.934000 |
RXOGTPMEVGKQAS-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443329; PubChem:CID137378603
|
Local ready
Direct docking supported
|
|
E3L018745
BDB018745
|
US10654853, Example 103
COc1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cn1
|
C19H18N4O2 334.379000 |
PIFQPBIFXJOKCW-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443330; PubChem:CID137480008
|
Local ready
Direct docking supported
|
|
E3L018746
BDB018746
|
US10654853, Example 104
CC(C)Oc1ccc(F)cc1-c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C22H22FN3O2 379.435000 |
CPSNRECYRWTWFK-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443331; PubChem:CID137378657
|
Local ready
Direct docking supported
|
|
E3L018747
BDB018747
|
BDBM443332
N#CN1CCC2(Cc3cc(-c4ccc5cn[nH]c5c4)ccc3NC2=O)C1
|
C20H17N5O 343.390000 |
ABTGAUMAVPBVOM-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443332; PubChem:CID177667430
|
Local ready
Direct docking supported
|
|
E3L018748
BDB018748
|
US10654853, Example 106
CN1CCN(C(=O)c2ccc(-c3ccc4c(c3)CC3(CCN(C#N)C3)C(=O)N4)cc2)CC1
|
C25H27N5O2 429.524000 |
WBLRNMBMQAHBIL-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443333; PubChem:CID137378599
|
Local ready
Direct docking supported
|
|
E3L018749
BDB018749
|
US10654853, Example 107
Cn1ncc2cc(-c3ccc4c(c3)CC3(CCN(C#N)C3)C(=O)N4)ccc21
|
C21H19N5O 357.417000 |
GUMBIBQYIWPWMC-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443334; PubChem:CID137378590
|
Local ready
Direct docking supported
|
|
E3L018750
BDB018750
|
BDBM443335
Cc1ccc2[nH]ncc2c1-c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C21H19N5O 357.417000 |
MICJFLCDQYNINF-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443335; PubChem:CID137378622
|
Local ready
Direct docking supported
|
|
E3L018751
BDB018751
|
US10654853, Example 109
N#CN1CCC2(Cc3cc(-c4cccc(NS(=O)(=O)C5CC5)c4)ccc3NC2=O)C1
|
C22H22N4O3S 422.510000 |
GDJPSGZZBBIQRW-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443336; PubChem:CID137378658
|
Local ready
Direct docking supported
|
|
E3L018752
BDB018752
|
US10654853, Example 110
CN(C)C(=O)c1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cc1
|
C22H22N4O2 374.444000 |
NJKBLKFGVJBQJX-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443337; PubChem:CID137378604
|
Local ready
Direct docking supported
|
|
E3L018753
BDB018753
|
US10654853, Example 111
N#CN1CCC2(Cc3cc(-c4cncnc4)ccc3NC2=O)C1
|
C17H15N5O 305.341000 |
IGUWCEQSRYMPRU-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443338; PubChem:CID137378688
|
Local ready
Direct docking supported
|
|
E3L018754
BDB018754
|
US10654853, Example 112
CC(=O)Nc1cccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)c1
|
C21H20N4O2 360.417000 |
XCZWEDKIKFZUBR-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443339; PubChem:CID137378587
|
Local ready
Direct docking supported
|
|
E3L018755
BDB018755
|
US10654853, Example 113
CC(=O)Nc1ccc(-c2ccc3c(c2)CC2(CCN(C#N)C2)C(=O)N3)cc1
|
C21H20N4O2 360.417000 |
KDQRKEGIZAUQLZ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443340; PubChem:CID137378623
|
Local ready
Direct docking supported
|
|
E3L018756
BDB018756
|
US10654853, Example 114
N#CN1CCC2(Cc3cc(-c4cccc(C(=O)N5CCNCC5)c4)ccc3NC2=O)C1
|
C24H25N5O2 415.497000 |
OLSRPFXPAFMTEJ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443341; PubChem:CID155490018
|
Local ready
Direct docking supported
|
|
E3L018757
BDB018757
|
US10654853, Example 115
Cn1cccc1-c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C18H18N4O 306.369000 |
NQYVJFHVXAXVMA-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443342; PubChem:CID137378600
|
Local ready
Direct docking supported
|
|
E3L018758
BDB018758
|
US10654853, Example 116
N#CN1CCC2(Cc3cc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc3NC2=O)C1
|
C23H24N4O4S 452.536000 |
WILBBQABUGZBOR-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443343; PubChem:CID137378665
|
Local ready
Direct docking supported
|
|
E3L018759
BDB018759
|
BDBM443344
Cc1n[nH]c(C)c1-c1ccc2c(c1)CC1(CCN(C#N)C1)C(=O)N2
|
C18H19N5O 321.384000 |
WABWRXUKNDQUHV-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443344; PubChem:CID137378678
|
Local ready
Direct docking supported
|
|
E3L018760
BDB018760
|
US10654853, Example 118
N#CN1CCC2(Cc3cc(-c4cccc(N5CCCCC5)c4)ccc3NC2=O)C1
|
C24H26N4O 386.499000 |
HDLMPSNMBBGCFY-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443345; PubChem:CID137480009
|
Local ready
Direct docking supported
|