| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012781
BDB012781
|
US10022354, Example 35
CC(C)NC(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C15H25N5O2 307.398000 |
ZVXHZWQTZOXJAA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281095; PubChem:CID121271213
|
Local ready
Direct docking supported
|
|
E3L012782
BDB012782
|
US10022354, Example 36
CC(C)c1cc(C(=O)N2CCC(Nc3ccccn3)C2)[nH]n1
|
C16H21N5O 299.378000 |
BNBACRJYRCHOJC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281096; PubChem:CID121279659
|
Local ready
Direct docking supported
|
|
E3L012783
BDB012783
|
US10022354, Example 37
Cc1cn(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)nn1
|
C14H20N6O 288.355000 |
WQRNKDNUTZJPOS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281097; PubChem:CID121279685
|
Local ready
Direct docking supported
|
|
E3L012784
BDB012784
|
BDBM281098
CC(C)C(=N)/C=C(\N)C(=O)N1CCC(n2cc(N)cn2)C1
|
C14H22N6O 290.371000 |
PKQTVVNXFPQRLY-XUJULQFASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281098; PubChem:CID136215090
|
Local ready
Direct docking supported
|
|
E3L012785
BDB012785
|
US10022354, Example 39
CC(C)c1cc(C(=O)N2CCC(n3ccccc3=O)C2)[nH]n1
|
C16H20N4O2 300.362000 |
OCJQKCSIJAACAV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281099; PubChem:CID121279695
|
Local ready
Direct docking supported
|
|
E3L012786
BDB012786
|
US10022354, Example 40
Cc1cccn(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1=O
|
C17H22N4O2 314.389000 |
RGJCGGRMPCGWKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281100; PubChem:CID121279697
|
Local ready
Direct docking supported
|
|
E3L012787
BDB012787
|
US10022354, Example 41
CC(C)c1cc(C(=O)N2CC[C@@H](n3cccc(C4CC4)c3=O)C2)[nH]n1
|
C19H24N4O2 340.427000 |
KCKPUNHLKNGJAR-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281101; PubChem:CID121279692
|
Local ready
Direct docking supported
|
|
E3L012788
BDB012788
|
US10022354, Example 42
CC(C)c1cc(C(=O)N2CC[C@@H](n3cccc(C(C)C)c3=O)C2)[nH]n1
|
C19H26N4O2 342.443000 |
VJTKNXVJUZLUMP-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281102; PubChem:CID121279502
|
Local ready
Direct docking supported
|
|
E3L012789
BDB012789
|
US10022354, Example 43
CCc1cccn([C@@H]2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1=O
|
C18H24N4O2 328.416000 |
GEFVOERIMAPFCN-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281103; PubChem:CID121279693
|
Local ready
Direct docking supported
|
|
E3L012790
BDB012790
|
US10022354, Example 44
Cc1cc(-c2ccn(C)c2)cc(C2CCN(C(=O)c3cc(C)[nH]n3)C2)n1
|
C20H23N5O 349.438000 |
CLNUQPBMWIMVCD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281104; PubChem:CID132070244
|
Local ready
Direct docking supported
|
|
E3L012791
BDB012791
|
US10022354, Example 45
CCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)[nH]n1
|
C20H24N6O 364.453000 |
UWYRRHICZDZAIZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281105; PubChem:CID121279684
|
Local ready
Direct docking supported
|
|
E3L012792
BDB012792
|
US10022354, Example 46
CCCc1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(C)n3)C2)[nH]n1
|
C21H26N6O 378.480000 |
YFFSYLDTZXRIBZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281106; PubChem:CID121279427
|
Local ready
Direct docking supported
|
|
E3L012793
BDB012793
|
US10022354, Example 47
Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C4CC4)n[nH]3)C2)n1
|
C21H24N6O 376.464000 |
WCOMCPYVSHGEPF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281107; PubChem:CID121279428
|
Local ready
Direct docking supported
|
|
E3L012794
BDB012794
|
US10022354, Example 48
Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)(C)C)n[nH]3)C2)n1
|
C22H28N6O 392.507000 |
ZERBYEGVAVBBON-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281108; PubChem:CID121279687
|
Local ready
Direct docking supported
|
|
E3L012795
BDB012795
|
US10022354, Example 49
Cc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)C2)n1
|
C24H24N6O 412.497000 |
LDYQBUHJTBTAKO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281109; PubChem:CID121279689
|
Local ready
Direct docking supported
|
|
E3L012796
BDB012796
|
US10022354, Example 50
CC(C)c1cc(C(=O)N2CCC(c3ccccn3)C2)[nH]n1
|
C16H20N4O 284.363000 |
PWQDTGVTVUEDFD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281110; PubChem:CID121279686
|
Local ready
Direct docking supported
|
|
E3L012797
BDB012797
|
US10022354, Example 51
Cc1cccc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C17H22N4O 298.390000 |
NHBZYMIMOIDLJM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281111; PubChem:CID121279688
|
Local ready
Direct docking supported
|
|
E3L012798
BDB012798
|
US10022354, Example 52
CC(C)c1cc(C(=O)N2CCC(Oc3ccccn3)C2)[nH]n1
|
C16H20N4O2 300.362000 |
ZYHBEOXHPDWBGM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281112; PubChem:CID121279730
|
Local ready
Direct docking supported
|
|
E3L012799
BDB012799
|
US10022354, Example 53
CNC(=O)c1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1
|
C19H25N5O2 355.442000 |
IQPYVZCXHBQCHB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281113; PubChem:CID121279731
|
Local ready
Direct docking supported
|
|
E3L012800
BDB012800
|
US10022354, Example 54
CC(=O)Nc1cc(C)nc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)c1
|
C19H25N5O2 355.442000 |
ILWPUMUQJZDDAZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281114; PubChem:CID121279690
|
Local ready
Direct docking supported
|