| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L018781
BDB018781
|
US10654853, Example 139
N#CN1CCC2(C1)Oc1nc(-c3cccc4[nH]ncc34)ccc1NC2=O
|
C18H14N6O2 346.350000 |
VMYCCQKEESXWBV-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443366; PubChem:CID137480005
|
Local ready
Direct docking supported
|
|
E3L018782
BDB018782
|
US10654853, Example 140
COCCn1ncc2c(-c3cnc4c(c3)NC(=O)C3(CCN(C#N)C3)O4)cccc21
|
C21H20N6O3 404.430000 |
PUABPVHTYFADID-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443367; PubChem:CID137479995
|
Local ready
Direct docking supported
|
|
E3L018783
BDB018783
|
US10654853, Example 141
N#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccc(F)cc3)ccc1NC2=O
|
C18H14FN5O3 367.340000 |
CJALBJJHSYATKP-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443368; PubChem:CID137378615
|
Local ready
Direct docking supported
|
|
E3L018784
BDB018784
|
US10654853, Example 142
N#CN1CCC2(C1)Oc1nc(C(=O)N3CCCCC3)ccc1NC2=O
|
C17H19N5O3 341.371000 |
KOVBFCNYAQNHLI-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443369; PubChem:CID137479949
|
Local ready
Direct docking supported
|
|
E3L018785
BDB018785
|
US10654853, Example 143
N#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccccc3)ccc1NC2=O
|
C18H15N5O3 349.350000 |
GSFOZGZZBRWSKD-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443370; PubChem:CID137480004
|
Local ready
Direct docking supported
|
|
E3L018786
BDB018786
|
US10654853, Example 144
N#CN1CCC2(C1)Oc1nc(C(=O)Nc3ccccc3F)ccc1NC2=O
|
C18H14FN5O3 367.340000 |
NIVWWMJBYCGIDJ-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443371; PubChem:CID137378645
|
Local ready
Direct docking supported
|
|
E3L018787
BDB018787
|
BDBM443372
Cc1ccc2[nH]ncc2c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)N2
|
C19H17N7O 359.393000 |
VVVXXUXVCSSAOM-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443372; PubChem:CID137480016
|
Local ready
Direct docking supported
|
|
E3L018788
BDB018788
|
US10654853, Example 146
Cc1cnn(C)c1-c1cnc2c(c1)NC(=O)C1(CCN(C#N)C1)N2
|
C16H17N7O 323.360000 |
VUVFSJXKHQAFBX-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443373; PubChem:CID137479953
|
Local ready
Direct docking supported
|
|
E3L018789
BDB018789
|
US10654853, Example 147
N#CN1CCC2(C1)Nc1nc(-c3ccccc3)ccc1NC2=O
|
C17H15N5O 305.341000 |
TYZJHOTUKGSKAO-UHFFFAOYSA-N | Q6GQQ9 | OTU domain-containing protein 7B |
BindingDB, PubChem
BindingDB:BDBM443374; PubChem:CID137479991
|
Local ready
Direct docking supported
|
|
E3L018790
BDB018790
|
BDBM444543
Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)C)C5)ncc3F)cc2n1C(C)C
|
C27H32F2N8 506.605000 |
KGMVZSJAPXYTKH-UHFFFAOYSA-N | O14965, P51948 | Cyclin-H, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM444543; PubChem:CID130196825
|
Local ready
Direct docking supported
|
|
E3L018791
BDB018791
|
BDBM445056
CCOc1cccc2c1CCN2C(=O)[C@@H]1CCCN1C#N
|
C16H19N3O2 285.347000 |
RPNXKHUIZNCHOE-AWEZNQCLSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445056; PubChem:CID124197628
|
Local ready
Direct docking supported
|
|
E3L018792
BDB018792
|
US10669234, Example 2
CC(C)Oc1cccc2c1CCN2C(=O)[C@@H]1CCCN1C#N
|
C17H21N3O2 299.374000 |
RGFNLDIHPNPDQW-HNNXBMFYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445057; PubChem:CID140885154
|
Local ready
Direct docking supported
|
|
E3L018793
BDB018793
|
US10669234, Example 3
N#CN1CCC[C@H]1C(=O)N1CCc2c(Oc3ccccc3)cccc21
|
C20H19N3O2 333.391000 |
IREHCLMOMHIEHD-SFHVURJKSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445063; PubChem:CID140885158
|
Local ready
Direct docking supported
|
|
E3L018794
BDB018794
|
US10669234, Example 4
N#CN1CCC[C@H]1C(=O)N1CCc2cc(Oc3ccccc3)ccc21
|
C20H19N3O2 333.391000 |
CXGNWVHMUQBCPU-IBGZPJMESA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445065; PubChem:CID140885168
|
Local ready
Direct docking supported
|
|
E3L018795
BDB018795
|
US10669234, Example 5
CCN(C(=O)[C@@H]1CCCN1C#N)c1nc(-c2ccccc2)cs1
|
C17H18N4OS 326.425000 |
JAIBYYLRJLKSSA-HNNXBMFYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445066; PubChem:CID135205701
|
Local ready
Direct docking supported
|
|
E3L018796
BDB018796
|
BDBM445067
N#CN1CCC[C@H]1C(=O)N1CCc2c(-c3ccccc3)cccc21
|
C20H19N3O 317.392000 |
GDWRBPHQNJJHCB-IBGZPJMESA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445067; PubChem:CID124197517
|
Local ready
Direct docking supported
|
|
E3L018797
BDB018797
|
US10669234, Example 7
Cc1noc(C)c1-c1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C#N
|
C19H20N4O2 336.395000 |
HKTUPWJHHQLKKU-KRWDZBQOSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445068; PubChem:CID135205635
|
Local ready
Direct docking supported
|
|
E3L018798
BDB018798
|
US10669234, Example 8
COc1cccc(-c2cccc3c2CCN3C(=O)[C@@H]2CCCN2C#N)c1
|
C21H21N3O2 347.418000 |
VGXSHTSUKOOVIG-FQEVSTJZSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445069; PubChem:CID135205890
|
Local ready
Direct docking supported
|
|
E3L018799
BDB018799
|
US10669234, Example 9
COc1ccc(-c2cccc3c2CCN3C(=O)[C@@H]2CCCN2C#N)cc1
|
C21H21N3O2 347.418000 |
NXYQNEYXTVQPQF-FQEVSTJZSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445070; PubChem:CID140885140
|
Local ready
Direct docking supported
|
|
E3L018800
BDB018800
|
US10669234, Example 10
Cc1cccc(C)c1-c1cccc2c1CCN2C(=O)[C@@H]1CCCN1C#N
|
C22H23N3O 345.446000 |
GPNAJIZRASNSIG-FQEVSTJZSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM445071; PubChem:CID140885155
|
Local ready
Direct docking supported
|