| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017301
BDB017301
|
US10280149, Example 185b
COc1ccc2cc(C(=O)[C@H]3CN(C4CCC4)CC[C@H]3CC(C)C)ccc2c1CC#N
|
C27H34N2O2 418.581000 |
YVUIBGTZPAIITR-CPJSRVTESA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383703; PubChem:CID121479214
|
Local ready
Direct docking supported
|
|
E3L017302
BDB017302
|
US10280149, Example 186a
COc1ccc2cc(C(=O)[C@@H]3CN(C4CCC4)CC[C@@H]3C(C)C)ccc2c1CC#N
|
C26H32N2O2 404.554000 |
GUDXOTLKSINVFN-ZJSXRUAMSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383704; PubChem:CID121479218
|
Local ready
Direct docking supported
|
|
E3L017303
BDB017303
|
US10280149, Example 186b
COc1ccc2cc(C(=O)[C@H]3CN(C4CCC4)CC[C@H]3C(C)C)ccc2c1CC#N
|
C26H32N2O2 404.554000 |
GUDXOTLKSINVFN-URXFXBBRSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383705; PubChem:CID121479212
|
Local ready
Direct docking supported
|
|
E3L017304
BDB017304
|
US10280149, Example 188
COc1ccc2cc(C(=O)C3CCCN(CC4CC4)C3)ccc2c1CO
|
C22H27NO3 353.462000 |
FMPUXTGIDXJUJV-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383706; PubChem:CID121473805
|
Local ready
Direct docking supported
|
|
E3L017305
BDB017305
|
US10280149, Example 189
COc1ccc2cc(C(=O)C3CCCN(C4CCC4)C3)ccc2c1CO
|
C22H27NO3 353.462000 |
ZZPMCWSDWNBGBZ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383707; PubChem:CID121479195
|
Local ready
Direct docking supported
|
|
E3L017306
BDB017306
|
US10280149, Example 190
CCN1CCN(C2CCC2)CC1C(=O)c1ccc2cc(OC)ccc2c1
|
C22H28N2O2 352.478000 |
SDDCQQOHXOSPMS-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383708; PubChem:CID121479064
|
Local ready
Direct docking supported
|
|
E3L017307
BDB017307
|
US10280149, Example 191
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccccc3)ccc2c1
|
C27H30N2O2 414.549000 |
DYKQHRZFBFVIRV-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383709; PubChem:CID121479300
|
Local ready
Direct docking supported
|
|
E3L017308
BDB017308
|
US10280149, Example 192
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3CC3CC3)ccc2c1
|
C24H30N2O2 378.516000 |
KMHYPEDNUWCJOK-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383710; PubChem:CID121479098
|
Local ready
Direct docking supported
|
|
E3L017309
BDB017309
|
US10280149, Example 193
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3cccc(C#N)c3)ccc2c1
|
C28H29N3O2 439.559000 |
ZWQRFETZIALHDL-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383711; PubChem:CID121479103
|
Local ready
Direct docking supported
|
|
E3L017310
BDB017310
|
US10280149, Example 194
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3C)ccc2c1
|
C21H26N2O2 338.451000 |
VEQZLOREOAHYQX-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383712; PubChem:CID121479101
|
Local ready
Direct docking supported
|
|
E3L017311
BDB017311
|
US10280149, Example 195
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccccc3C#N)ccc2c1
|
C28H29N3O2 439.559000 |
AUGMXJBKRDLXCY-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383713; PubChem:CID121479099
|
Local ready
Direct docking supported
|
|
E3L017312
BDB017312
|
US10280149, Example 196
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccc(C)cc3)ccc2c1
|
C28H32N2O2 428.576000 |
NVXYTAUNYLMJEM-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383714; PubChem:CID121479100
|
Local ready
Direct docking supported
|
|
E3L017313
BDB017313
|
US10280149, Example 197
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccc4ccccc4c3)ccc2c1
|
C31H32N2O2 464.609000 |
JDFBCJRAXLTCBI-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383715; PubChem:CID121479102
|
Local ready
Direct docking supported
|
|
E3L017314
BDB017314
|
US10280149, Example 198
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3cccc(C(F)(F)F)c3)ccc2c1
|
C28H29F3N2O2 482.546000 |
HQJAIARQIASLOC-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383716; PubChem:CID121479199
|
Local ready
Direct docking supported
|
|
E3L017315
BDB017315
|
US10280149, Example 199
COc1ccc2cc(C(=O)C3CN(C4CCC4)CCN3Cc3ccc(C#N)cc3)ccc2c1
|
C28H29N3O2 439.559000 |
WBNQWKFYFGGMQU-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM383717; PubChem:CID121479198
|
Local ready
Direct docking supported
|
|
E3L017316
BDB017316
|
BDBM385079
CC(C)CN1CCC(C(=O)Nc2cc3cc(-c4cnn(C)c4)ccc3cn2)CC1
|
C23H29N5O 391.519000 |
OGPJOAYIAOEJAM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM385079; PubChem:CID132056255
|
Local ready
Direct docking supported
|
|
E3L017317
BDB017317
|
BDBM385170
Cn1cc(-c2ccc3cnc(NC(=O)C4CCN(S(C)(=O)=O)CC4)cc3c2)cn1
|
C20H23N5O3S 413.503000 |
GXCOUFPTCZUTEE-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM385170; PubChem:CID132056097
|
Local ready
Direct docking supported
|
|
E3L017318
BDB017318
|
US9938257, Example 1
CC(=O)N1CC2CC(Nc3nc(Nc4cnn(CC(C)(C)O)c4)ncc3Cl)CC2C1
|
C20H28ClN7O2 433.944000 |
JVGHAGIBZTYWHU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387169; PubChem:CID126665333
|
Local ready
Direct docking supported
|
|
E3L017319
BDB017319
|
US9938257, Example 2
CC(C)(O)Cn1cc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)CC#N)CC4C3)n2)cn1
|
C21H27ClN8O2 458.954000 |
NZAHNNCDURCBGZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387170; PubChem:CID126665363
|
Local ready
Direct docking supported
|
|
E3L017320
BDB017320
|
US9938257, Example 7
N#CCC(=O)N1CC2CC(Nc3nc(Nc4cnn(-c5ccccn5)c4)ncc3Cl)CC2C1
|
C22H22ClN9O 463.933000 |
SUFQAOLKAMDVKJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM387171; PubChem:CID126665268
|
Local ready
Direct docking supported
|