| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L036741
BDB036741
|
US12269819, Example 24
COc1ccc(Cl)cc1N(C)C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@H]1OC
|
C24H24ClF3N4O6 556.925000 |
KYUDAQFABMEBOF-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731612; PubChem:CID164767561
|
Local ready
Direct docking supported
|
|
E3L036742
BDB036742
|
US12269819, Example 25
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc(Cl)cc1Cl
|
C23H21Cl2F3N4O5 561.344000 |
LRSHNAAAILONCP-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731613; PubChem:CID164767565
|
Local ready
Direct docking supported
|
|
E3L036743
BDB036743
|
US12269819, Example 26
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1c(C(F)(F)F)ccc(Cl)c1F
|
C24H20ClF7N4O5 612.886000 |
YSXGBSRZPBYWHO-MPRQEMDOSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731614; PubChem:CID164767585
|
Local ready
Direct docking supported
|
|
E3L036744
BDB036744
|
US12269819, Example 27
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1N(C)C
|
C25H27ClF3N5O5 569.968000 |
PXYYMZVFHNWHKO-HYPCABPSSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731615; PubChem:CID164767578
|
Local ready
Direct docking supported
|
|
E3L036745
BDB036745
|
US12269819, Example 28
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1Oc1ccccc1
|
C29H26ClF3N4O6 618.996000 |
PRKSLTYBISRSTG-FWZZJMFBSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731616; PubChem:CID164767559
|
Local ready
Direct docking supported
|
|
E3L036746
BDB036746
|
US12269819, Example 29
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(C)(C)C
|
C27H30Cl2F2N4O5 599.462000 |
IRUCOSMOJLZHMM-HSQNVRHTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731617; PubChem:CID164767571
|
Local ready
Direct docking supported
|
|
E3L036747
BDB036747
|
US12269819, Example 29
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(C)(C)C
|
C27H30Cl2F2N4O5 599.462000 |
IRUCOSMOJLZHMM-HSQNVRHTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731618; PubChem:CID164767571
|
Local ready
Direct docking supported
|
|
E3L036748
BDB036748
|
US12269819, Example 31
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(C)(C)C
|
C27H31Cl2FN4O5 581.472000 |
DUIDYVSEBLJELV-ZLOLNMDISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731619; PubChem:CID164767569
|
Local ready
Direct docking supported
|
|
E3L036749
BDB036749
|
US12269819, Example 31
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(C)(C)C
|
C27H31Cl2FN4O5 581.472000 |
DUIDYVSEBLJELV-ZLOLNMDISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731620; PubChem:CID164767569
|
Local ready
Direct docking supported
|
|
E3L036750
BDB036750
|
US12269819, Example 33
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)cnc1-c1ccccc1
|
C28H25ClF3N5O5 603.985000 |
LTQBFZKQAGRYGO-RETDVDAXSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731621; PubChem:CID164767553
|
Local ready
Direct docking supported
|
|
E3L036751
BDB036751
|
US12269819, Example 34
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1Br
|
C23H21BrClF3N4O5 605.795000 |
KNIDLZVZXVSIMC-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731622; PubChem:CID164767572
|
Local ready
Direct docking supported
|
|
E3L036752
BDB036752
|
US12269819, Example 35
CO[C@@H]1[C@@H](n2cc(-c3ccc(Cl)c(Cl)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H23Cl2N5O5S 564.451000 |
KYMBFUUWVDGGQK-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731623; PubChem:CID164767583
|
Local ready
Direct docking supported
|
|
E3L036753
BDB036753
|
US12269819, Example 36
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccnc2cc(Cl)ccc12
|
C26H23ClF3N5O5 577.947000 |
OTZQFNPABZRIDR-HSQNVRHTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731624; PubChem:CID164767581
|
Local ready
Direct docking supported
|
|
E3L036754
BDB036754
|
US12269819, Example 37
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)cc3F)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C24H22ClF2N5O5S 565.986000 |
QOIABGYJXDVKSE-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731625; PubChem:CID164767556
|
Local ready
Direct docking supported
|
|
E3L036755
BDB036755
|
US12269819, Example 38
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(Cl)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1cc(Cl)ccc1C(F)(F)F
|
C24H21Cl2F5N4O5 611.351000 |
JIRDPOOHDFSBHS-WHCFWRGISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731626; PubChem:CID164767558
|
Local ready
Direct docking supported
|
|
E3L036756
BDB036756
|
US12269819, Example 40
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)Cc1cccc(Cl)c1
|
C24H24ClF3N4O5 540.926000 |
AATYTGSMEFYULV-YDXQKAQTSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731628; PubChem:CID164767580
|
Local ready
Direct docking supported
|
|
E3L036757
BDB036757
|
US12269819, Example 41
CO[C@@H]1[C@@H](n2cc(-c3ccc4cc(Cl)ccc4c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ncsc2c1
|
C28H26ClN5O5S 580.066000 |
DKQLAYPLZDBWMV-IJOLKFQISA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731629; PubChem:CID155201774
|
Local ready
Direct docking supported
|
|
E3L036758
BDB036758
|
US12269819, Example 44
CO[C@@H]1[C@@H](n2cc(-c3cc(F)c(F)c(F)c3)nn2)[C@@H](O)[C@@H](CO)O[C@H]1C(=O)N(C)c1ccc2ccsc2c1
|
C25H23F3N4O5S 548.543000 |
RROOCFRRNMOWBL-VLZGJKPMSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731632; PubChem:CID164767577
|
Local ready
Direct docking supported
|
|
E3L036759
BDB036759
|
US12269819, Example B1
CN(CCN(C)c1ccc(OCc2ccccc2)cc1)C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O
|
C32H36FN5O6 605.667000 |
ODWDKXZKNKOCPB-GGEKVXJASA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731633; PubChem:CID155201848
|
Local ready
Direct docking supported
|
|
E3L036760
BDB036760
|
US12269819, Example B2
CN(CCN(C)c1ccc(O)cc1)C(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(-c3cccc(F)c3)nn2)[C@H]1O
|
C25H30FN5O6 515.542000 |
XQSYUPJOCAPBKD-OYTPZHDJSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM731634; PubChem:CID155201801
|
Local ready
Direct docking supported
|