| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012841
BDB012841
|
US10022354, Example 95
Cc1cc(-c2cncnc2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C21H24N6O 376.464000 |
IEJKSLRAUXEWJN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281155; PubChem:CID121279578
|
Local ready
Direct docking supported
|
|
E3L012842
BDB012842
|
US10022354, Example 96
Cc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)C)n[nH]4)C3)c2)cn1
|
C23H27N5O 389.503000 |
ZBOWZNCBCMOXPL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281156; PubChem:CID121279583
|
Local ready
Direct docking supported
|
|
E3L012843
BDB012843
|
US10022354, Example 97
Cc1cc(-c2cnn(C(C)C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C23H30N6O 406.534000 |
SQYCWHKVLJNNCM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281157; PubChem:CID121279632
|
Local ready
Direct docking supported
|
|
E3L012844
BDB012844
|
US10022354, Example 98
Cc1cc(-c2cnn(CCC#N)c2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C23H27N7O 417.517000 |
YZIQNOFSYUMMIO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281158; PubChem:CID132070187
|
Local ready
Direct docking supported
|
|
E3L012845
BDB012845
|
US10022354, Example 99
Cc1cc(-c2c[nH]nc2C)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C21H26N6O 378.480000 |
GEZFWWRTXIIWJC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281159; PubChem:CID121279603
|
Local ready
Direct docking supported
|
|
E3L012846
BDB012846
|
US10022354, Example 100
CC(C)c1cc(C(=O)N2CCC(c3ccncn3)C2)[nH]n1
|
C15H19N5O 285.351000 |
SCNDVEPDBBTDTJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281160; PubChem:CID121279607
|
Local ready
Direct docking supported
|
|
E3L012847
BDB012847
|
US10022354, Example 101
CC(C)c1cc(C(=O)N2CCC(c3cccc(-c4cnn(C)c4)c3)C2)[nH]n1
|
C21H25N5O 363.465000 |
KBEATPAFNACQKF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281161; PubChem:CID132070249
|
Local ready
Direct docking supported
|
|
E3L012848
BDB012848
|
US10022354, Example 102
Cc1cc(-c2cnn(C)c2)nc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C20H25N7O 379.468000 |
KZMBBRVEMMYESC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281162; PubChem:CID121279637
|
Local ready
Direct docking supported
|
|
E3L012849
BDB012849
|
US10022354, Example 103
COc1ccc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc1
|
C17H22N4O2 314.389000 |
VDFMKQKNIIWNJU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281163; PubChem:CID121279699
|
Local ready
Direct docking supported
|
|
E3L012850
BDB012850
|
US10022354, Example 104
CC(C)c1cc(C(=O)N2CCC(c3ccc(N)cn3)C2)[nH]n1
|
C16H21N5O 299.378000 |
JUXVBFHULQYYDK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281164; PubChem:CID121279586
|
Local ready
Direct docking supported
|
|
E3L012851
BDB012851
|
US10022354, Example 105
Cc1ccc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)nc1
|
C17H22N4O 298.390000 |
JMACJFLVWXOBKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281165; PubChem:CID121279606
|
Local ready
Direct docking supported
|
|
E3L012852
BDB012852
|
US10022354, Example 106
CC(C)c1cc(C(=O)N2CCC(c3ccc(-c4ccccc4)cn3)C2)[nH]n1
|
C22H24N4O 360.461000 |
FFNBZXJHNKTIIW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281166; PubChem:CID121279609
|
Local ready
Direct docking supported
|
|
E3L012853
BDB012853
|
US10022354, Example 107
CC(C)c1cc(C(=O)N2CCC(c3cccnn3)C2)[nH]n1
|
C15H19N5O 285.351000 |
AROJQSDVEMIUIU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281167; PubChem:CID121279590
|
Local ready
Direct docking supported
|
|
E3L012854
BDB012854
|
US10022354, Example 108
Cc1cc(-c2cnn(C)c2)cc(C2=CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C21H24N6O 376.464000 |
UNVTWPGKENJFGV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281168; PubChem:CID121279610
|
Local ready
Direct docking supported
|
|
E3L012855
BDB012855
|
US10022354, Example 109
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccnc3)C2)[nH]n1
|
C17H21N5O2 327.388000 |
OSNKYAPDWXRVDM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281169; PubChem:CID121279589
|
Local ready
Direct docking supported
|
|
E3L012856
BDB012856
|
US10022354, Example 110
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccc(Cl)c3)C2)[nH]n1
|
C18H21ClN4O2 360.845000 |
HMGRNWOUJCWQFP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281170; PubChem:CID132070190
|
Local ready
Direct docking supported
|
|
E3L012857
BDB012857
|
US10022354, Example 111
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc(Cl)cc3)C2)[nH]n1
|
C18H21ClN4O2 360.845000 |
IDMSLHSGXNKQPO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281171; PubChem:CID121279748
|
Local ready
Direct docking supported
|
|
E3L012858
BDB012858
|
US10022354, Example 112
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccn(C)n3)C2)[nH]n1
|
C16H22N6O2 330.392000 |
UWTMLELVDYUXKA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281172; PubChem:CID132070192
|
Local ready
Direct docking supported
|
|
E3L012859
BDB012859
|
US10022354, Example 113
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cnn(C)c3)C2)[nH]n1
|
C16H22N6O2 330.392000 |
CEOWLYHPGPFJKF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281173; PubChem:CID121279595
|
Local ready
Direct docking supported
|
|
E3L012860
BDB012860
|
US10022354, Example 114
CC(C)c1cc(C(=O)N2CCC(NC(=O)Nc3ccccc3)C2)[nH]n1
|
C18H23N5O2 341.415000 |
LKMNAONVCKTISR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281174; PubChem:CID121279613
|
Local ready
Direct docking supported
|