| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L012921
BDB012921
|
US10022354, Example 177
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4[nH]ccc4n3)C2)[nH]n1
|
C19H22N6O2 366.425000 |
IFLYJEWSUKFJIA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281237; PubChem:CID132070213
|
Local ready
Direct docking supported
|
|
E3L012922
BDB012922
|
US10022354, Example 178
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccc4c(ccn4C)c3)C2)[nH]n1
|
C21H25N5O2 379.464000 |
KJEZALRDQDMTRF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281238; PubChem:CID132070212
|
Local ready
Direct docking supported
|
|
E3L012923
BDB012923
|
US10022354, Example 179
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3COC3)C2)[nH]n1
|
C15H22N4O3 306.366000 |
REQLCICXLDYHDA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281239; PubChem:CID132070215
|
Local ready
Direct docking supported
|
|
E3L012924
BDB012924
|
US10022354, Example 180
CCCOc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C21H28N4O3 384.480000 |
IJJAFCRJPOIWNR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281240; PubChem:CID121279565
|
Local ready
Direct docking supported
|
|
E3L012925
BDB012925
|
US10022354, Example 181
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(C)COC3)C2)[nH]n1
|
C16H24N4O3 320.393000 |
CRQIIEDBPCIEOS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281241; PubChem:CID132070214
|
Local ready
Direct docking supported
|
|
E3L012926
BDB012926
|
US10022354, Example 182
CC(C)c1cc(C(=O)N2CCC(NC(=O)NCc3ccccc3)C2)[nH]n1
|
C19H25N5O2 355.442000 |
BPEPZYXZTFFTAN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281242; PubChem:CID121279563
|
Local ready
Direct docking supported
|
|
E3L012927
BDB012927
|
US10022354, Example 183
CC(C)c1cc(C(=O)N2CC[C@@H](NC(=O)c3ccccc3)C2)[nH]n1
|
C18H22N4O2 326.400000 |
RNQBSNIBYKAZGI-CQSZACIVSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281243; PubChem:CID121279732
|
Local ready
Direct docking supported
|
|
E3L012928
BDB012928
|
US10022354, Example 184
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4cccnc4)CC3)C2)n[nH]1
|
C20H25N5O2 367.453000 |
WNIWDZJVPGBSSS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281244; PubChem:CID121279625
|
Local ready
Direct docking supported
|
|
E3L012929
BDB012929
|
US10022354, Example 185
CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OCCO)C2)[nH]n1
|
C20H26N4O4 386.452000 |
VEPYLGRTKADAEI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281245; PubChem:CID132070216
|
Local ready
Direct docking supported
|
|
E3L012930
BDB012930
|
US10022354, Example 186
CC(C)c1cc(C(=O)N2CCC(C(=O)NC3CCCCC3)C2)[nH]n1
|
C18H28N4O2 332.448000 |
KLPIPBOAGUANDH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281246; PubChem:CID132070218
|
Local ready
Direct docking supported
|
|
E3L012931
BDB012931
|
US10022354, Example 187
CC(C)c1cc(C(=O)N2CCC(C(=O)Nc3ccccc3)C2)[nH]n1
|
C18H22N4O2 326.400000 |
DGOAYZOACCYWPR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281247; PubChem:CID132070217
|
Local ready
Direct docking supported
|
|
E3L012932
BDB012932
|
US10022354, Example 188
CCNC(=O)C1CCN(C(=O)c2cc(C(C)C)n[nH]2)C1
|
C14H22N4O2 278.356000 |
PIJDRVAHACUMGZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281248; PubChem:CID132070219
|
Local ready
Direct docking supported
|
|
E3L012933
BDB012933
|
US10022354, Example 189
CCC(C)c1cc(C(=O)N2CC[C@@H](CC(=O)[C@H]3C[C@H]3F)C2)[nH]n1
|
C17H24FN3O2 321.396000 |
LPUQBMAGZFGCTM-FOIKRFTLSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281249; PubChem:CID132070251
|
Local ready
Direct docking supported
|
|
E3L012934
BDB012934
|
US10022354, Example 190
CCC(C)c1cc(C(=O)N2CC[C@@H](CC(=O)[C@@H]3C[C@@H]3F)C2)[nH]n1
|
C17H24FN3O2 321.396000 |
LPUQBMAGZFGCTM-WVMKXHBISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281250; PubChem:CID132070250
|
Local ready
Direct docking supported
|
|
E3L012935
BDB012935
|
US10022354, Example 191
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4ccncc4)CC3)C2)[nH]n1
|
C20H25N5O2 367.453000 |
MGXNSXYNAQFGLV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281251; PubChem:CID121279646
|
Local ready
Direct docking supported
|
|
E3L012936
BDB012936
|
US10022354, Example 192
COCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)n[nH]3)C2)CC1
|
C17H26N4O3 334.420000 |
SEIPMBYWAVTJQA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281252; PubChem:CID121279615
|
Local ready
Direct docking supported
|
|
E3L012937
BDB012937
|
US10022354, Example 193
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(C#N)CC3)C2)[nH]n1
|
C16H21N5O2 315.377000 |
MOTMETGGMHJBQS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281253; PubChem:CID121279618
|
Local ready
Direct docking supported
|
|
E3L012938
BDB012938
|
US10022354, Example 194
CC(C)c1cc(C(=O)N2CCC(NC(=O)CC(F)(F)F)C2)[nH]n1
|
C14H19F3N4O2 332.326000 |
XEGDUTNSWRPPRX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281254; PubChem:CID121279630
|
Local ready
Direct docking supported
|
|
E3L012939
BDB012939
|
US10022354, Example 195
CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(Oc4ccccc4)CC3)C2)[nH]n1
|
C21H26N4O3 382.464000 |
IQVGYLGXSTYRET-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281255; PubChem:CID121279633
|
Local ready
Direct docking supported
|
|
E3L012940
BDB012940
|
US10022354, Example 196
Cn1cc(-n2ccc(C(=O)NC3CCN(C(=O)c4ccn[nH]4)C3)n2)cn1
|
C16H18N8O2 354.374000 |
SGBVNPJGRITXAP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM281256; PubChem:CID132070252
|
Local ready
Direct docking supported
|