| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012881
BDB012881
|
US10022354, Example 137
CCC(C)(C)C(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C17H28N4O2 320.437000 |
XMADSARGTVTOJZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281197; PubChem:CID121279667
|
Local ready
Direct docking supported
|
|
E3L012882
BDB012882
|
US10022354, Example 138
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4ccccc4)CC3)C2)[nH]n1
|
C21H26N4O2 366.465000 |
LYIWSFPIVSSXLR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281198; PubChem:CID121279669
|
Local ready
Direct docking supported
|
|
E3L012883
BDB012883
|
US10022354, Example 139
COc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C20H26N4O4 386.452000 |
KTDMVQXAVRZKCG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281199; PubChem:CID132070197
|
Local ready
Direct docking supported
|
|
E3L012884
BDB012884
|
US10022354, Example 140
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4ccccn4)CC3)C2)n[nH]1
|
C20H25N5O2 367.453000 |
RQQWIOYAJSCKNA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281200; PubChem:CID121279564
|
Local ready
Direct docking supported
|
|
E3L012885
BDB012885
|
US10022354, Example 141
CCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)CC1
|
C17H26N4O2 318.421000 |
GZCYJFIAPNZSKM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281201; PubChem:CID132070193
|
Local ready
Direct docking supported
|
|
E3L012886
BDB012886
|
US10022354, Example 142
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)C2)[nH]n1
|
C19H21F3N4O3 410.396000 |
OBEKYTSKFQFLSC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281202; PubChem:CID132070195
|
Local ready
Direct docking supported
|
|
E3L012887
BDB012887
|
US10022354, Example 143
CC(C)Oc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)n1
|
C23H30N6O2 422.533000 |
WZZONHGDTQAASF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281203; PubChem:CID132070199
|
Local ready
Direct docking supported
|
|
E3L012888
BDB012888
|
US10022354, Example 144
CC(C)c1cc(C(=O)N2CCC(c3cc(-c4cnn(C)c4)cc(N)n3)C2)[nH]n1
|
C20H25N7O 379.468000 |
PYIFFVPCJYCANA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281204; PubChem:CID132070194
|
Local ready
Direct docking supported
|
|
E3L012889
BDB012889
|
US10022354, Example 145
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCCCC3)C2)[nH]n1
|
C18H28N4O2 332.448000 |
RXOXSGXAGKDJCP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281205; PubChem:CID132070196
|
Local ready
Direct docking supported
|
|
E3L012890
BDB012890
|
US10022354, Example 146
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccn3)C2)[nH]n1
|
C17H21N5O2 327.388000 |
DSXZASNQXAOAIU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281206; PubChem:CID132070200
|
Local ready
Direct docking supported
|
|
E3L012891
BDB012891
|
US10022354, Example 147
CC(C)c1cc(C(=O)N2CCC(N(C)C(=O)c3ccccc3)C2)[nH]n1
|
C19H24N4O2 340.427000 |
WWUYYKIOZLZMKC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281207; PubChem:CID121279739
|
Local ready
Direct docking supported
|
|
E3L012892
BDB012892
|
US10022354, Example 148
CCN(C(=O)c1ccccc1)C1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C20H26N4O2 354.454000 |
ODSSCNMDJSJFJP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281208; PubChem:CID121279740
|
Local ready
Direct docking supported
|
|
E3L012893
BDB012893
|
US10022354, Example 149
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccncc3)C2)[nH]n1
|
C17H21N5O2 327.388000 |
LONIOBYLWBYSPO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281209; PubChem:CID132070198
|
Local ready
Direct docking supported
|
|
E3L012894
BDB012894
|
US10022354, Example 150
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3Cl)C2)[nH]n1
|
C18H21ClN4O2 360.845000 |
KKPVZVPMPYJKOI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281210; PubChem:CID132070201
|
Local ready
Direct docking supported
|
|
E3L012895
BDB012895
|
US10022354, Example 151
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CC3)C2)[nH]n1
|
C15H22N4O2 290.367000 |
CXEXTVGTDZRKJS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281211; PubChem:CID132054530
|
Local ready
Direct docking supported
|
|
E3L012896
BDB012896
|
US10022354, Example 152
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCC3)C2)[nH]n1
|
C16H24N4O2 304.394000 |
WFZQSICPYNAMNU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281212; PubChem:CID121279737
|
Local ready
Direct docking supported
|
|
E3L012897
BDB012897
|
US10022354, Example 153
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCCC3)C2)[nH]n1
|
C17H26N4O2 318.421000 |
CLDCFVMKTISCEK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281213; PubChem:CID121279741
|
Local ready
Direct docking supported
|
|
E3L012898
BDB012898
|
US10022354, Example 154
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3CCOCC3)C2)[nH]n1
|
C17H26N4O3 334.420000 |
GOVKAJDBNAMFLM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281214; PubChem:CID121279721
|
Local ready
Direct docking supported
|
|
E3L012899
BDB012899
|
US10022354, Example 155
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3F)C2)[nH]n1
|
C18H21FN4O2 344.390000 |
MPRXIJPDLQSMGX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281215; PubChem:CID121279664
|
Local ready
Direct docking supported
|
|
E3L012900
BDB012900
|
US10022354, Example 156
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3cccc(F)c3)C2)[nH]n1
|
C18H21FN4O2 344.390000 |
MIBHIFFGHMLIOZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281216; PubChem:CID121279662
|
Local ready
Direct docking supported
|