| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013861
BDB013861
|
BDBM314132
O=C(O)c1ccncc1NCc1ccccc1Nc1ccccc1
|
C19H17N3O2 319.364000 |
GDMFRHBYQLGHLQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314132; PubChem:CID77106119
|
Local ready
Direct docking supported
|
|
E3L013862
BDB013862
|
BDBM314133
O=C(O)c1ccncc1NCc1cccc(OCC2CC2)c1
|
C17H18N2O3 298.342000 |
WBNKZKXRLUOOMX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314133; PubChem:CID77106523
|
Local ready
Direct docking supported
|
|
E3L013863
BDB013863
|
BDBM314134
O=C(O)c1ccncc1NCc1coc2ccccc12
|
C15H12N2O3 268.272000 |
KBTXKDBCCCNVIZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314134; PubChem:CID86728209
|
Local ready
Direct docking supported
|
|
E3L013864
BDB013864
|
US9611224, Example 1a
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cc(F)ccc2OC)C1=O
|
C22H26FN3O3 399.466000 |
LWNCCQLYRLGGBN-KSSFIOAISA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314135; PubChem:CID89922921
|
Local ready
Direct docking supported
|
|
E3L013865
BDB013865
|
BDBM314136
Cc1ccc(CNc2cnccc2C(=O)O)o1
|
C12H12N2O3 232.239000 |
PSMJAJNBLBTFCZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314136; PubChem:CID77106318
|
Local ready
Direct docking supported
|
|
E3L013866
BDB013866
|
BDBM314137
O=C(O)c1ccncc1NCc1cc2ccccc2o1
|
C15H12N2O3 268.272000 |
GQWQDCDRPNJNKQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314137; PubChem:CID77105707
|
Local ready
Direct docking supported
|
|
E3L013867
BDB013867
|
US9611224, Example 2a
CN[C@@H](C)C(=O)N[C@H]1CCc2ccccc2N(Cc2cccs2)C1=O
|
C19H23N3O2S 357.479000 |
OVFWAXVZLOTKLG-BBRMVZONSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314138; PubChem:CID89923221
|
Local ready
Direct docking supported
|
|
E3L013868
BDB013868
|
BDBM314139
O=C(O)c1ccncc1NCC1Cc2ccccc2O1
|
C15H14N2O3 270.288000 |
HHVUUDBYYIOYSP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314139; PubChem:CID81751147
|
Local ready
Direct docking supported
|
|
E3L013869
BDB013869
|
BDBM314140
O=C(O)c1ccncc1NCC1COc2ccccc2O1
|
C15H14N2O4 286.287000 |
BODVPTCFWMUZOI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314140; PubChem:CID86728210
|
Local ready
Direct docking supported
|
|
E3L013870
BDB013870
|
US9611221, Example 45
O=C(O)c1ccncc1NCC1CCc2ccccc21
|
C16H16N2O2 268.316000 |
DOXATKGVGAODPB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314141; PubChem:CID77105704
|
Local ready
Direct docking supported
|
|
E3L013871
BDB013871
|
US9611221, Example 46
O=C(O)c1ccncc1NCC1CCCc2ccccc21
|
C17H18N2O2 282.343000 |
DGPKTIKFLWFZTL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314142; PubChem:CID77107119
|
Local ready
Direct docking supported
|
|
E3L013872
BDB013872
|
US9611221, Example 47
O=C(O)c1ccncc1NC[C@H]1CCCc2ccccc21
|
C17H18N2O2 282.343000 |
DGPKTIKFLWFZTL-CYBMUJFWSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314143; PubChem:CID77107120
|
Local ready
Direct docking supported
|
|
E3L013873
BDB013873
|
BDBM314144
CC1(CNc2cnccc2C(=O)O)CCCc2ccccc21
|
C18H20N2O2 296.370000 |
UFXLKZLYQGPHTG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314144; PubChem:CID86728211
|
Local ready
Direct docking supported
|
|
E3L013874
BDB013874
|
US9611221, Example 53
O=C(O)c1ccncc1NCC1CCCc2ccc(C3CC3)cc21
|
C20H22N2O2 322.408000 |
DYNNRHCUODRGSV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314148; PubChem:CID77107123
|
Local ready
Direct docking supported
|
|
E3L013875
BDB013875
|
BDBM314152
O=C(O)c1ccncc1NCC1CCOc2ccccc21
|
C16H16N2O3 284.315000 |
ZTIWHJHWLHNGSP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314152; PubChem:CID77104946
|
Local ready
Direct docking supported
|
|
E3L013876
BDB013876
|
US9611221, Example 60
COc1ccc2c(c1)CCCC2CNc1cnccc1C(=O)O
|
C18H20N2O3 312.369000 |
NXQKMWGCRMQRSS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314154; PubChem:CID77107324
|
Local ready
Direct docking supported
|
|
E3L013877
BDB013877
|
US9611221, Example 63
Cc1ccc2c(c1)C(CNc1cnccc1C(=O)O)CCO2
|
C17H18N2O3 298.342000 |
BRSVPWGMMKUZJJ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314156; PubChem:CID77105320
|
Local ready
Direct docking supported
|
|
E3L013878
BDB013878
|
US9611224, Example 3
CC[C@H](N)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
|
C25H28N4O3 432.524000 |
OJCHLJWMPJLTJL-FPOVZHCZSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 2, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM314173; PubChem:CID89923367
|
Local ready
Direct docking supported
|
|
E3L013879
BDB013879
|
US9611224, Example 4
CC[C@H](NCCO)C(=O)N[C@H]1CCc2ccccc2N(Cc2c(OC)cnc3ccccc23)C1=O
|
C27H32N4O4 476.577000 |
XSUVNNOWKNXAPA-GMAHTHKFSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314191; PubChem:CID89923181
|
Local ready
Direct docking supported
|
|
E3L013880
BDB013880
|
US9611224, Example 5a
CC[C@H](N)C(=O)N[C@@H]1CCc2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O
|
C26H28BrN3O3 510.432000 |
IBJOBNCEBJHXSH-FCHUYYIVSA-N | Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM314192; PubChem:CID72949811
|
Local ready
Direct docking supported
|