| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016961
BDB016961
|
US10273222, Example 29
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
|
C16H11ClFN3O2 331.734000 |
IJXQPIKMXWVJMM-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381971; PubChem:CID90407571
|
Local ready
Direct docking supported
|
|
E3L016962
BDB016962
|
US10273222, Example 30
COc1cc(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)ccc1Cl
|
C17H14ClN3O3 343.770000 |
WDNVDHFDAHTYMI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381972; PubChem:CID90407428
|
Local ready
Direct docking supported
|
|
E3L016963
BDB016963
|
US10273222, Example 31
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(C(F)(F)F)c1
|
C17H11ClF3N3O2 381.741000 |
JBWWGJIWGUVEJH-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381973; PubChem:CID90407280
|
Local ready
Direct docking supported
|
|
E3L016964
BDB016964
|
US10273222, Example 32
CCOc1cc(Cl)ccc1-c1c(-c2cc(C(=O)O)ccn2)ncn1C
|
C18H16ClN3O3 357.797000 |
LPZRXVYRMUKTQA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381974; PubChem:CID90407372
|
Local ready
Direct docking supported
|
|
E3L016965
BDB016965
|
US10273222, Example 33
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)cc1Cl
|
C16H11Cl2N3O2 348.189000 |
SNYZZKKVKCUZEG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381975; PubChem:CID90407834
|
Local ready
Direct docking supported
|
|
E3L016966
BDB016966
|
US10273222, Example 34
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(C2(C(F)(F)F)CC2)cc1
|
C20H16F3N3O2 387.361000 |
SDMVZUWEFWRXCR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381976; PubChem:CID90407340
|
Local ready
Direct docking supported
|
|
E3L016967
BDB016967
|
US10273222, Example 35
CCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
|
C18H15ClFN3O2 359.788000 |
AMXRJEGTRJTANA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381977; PubChem:CID90408013
|
Local ready
Direct docking supported
|
|
E3L016968
BDB016968
|
US10273222, Example 36
COCCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
|
C19H17ClFN3O3 389.814000 |
YXQDIIPJDPYZJA-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381978; PubChem:CID90407795
|
Local ready
Direct docking supported
|
|
E3L016969
BDB016969
|
US10273222, Example 37
COCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
|
C18H15ClFN3O3 375.787000 |
VLLCQYVSOVCPKS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381979; PubChem:CID90407610
|
Local ready
Direct docking supported
|
|
E3L016970
BDB016970
|
US10273222, Example 38
CN(CCn1cnc(-c2cc(C(=O)O)ccn2)c1)Cc1ccc(F)cc1
|
C19H19FN4O2 354.385000 |
XBGIGBHCVFRAGP-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381980; PubChem:CID90408158
|
Local ready
Direct docking supported
|
|
E3L016971
BDB016971
|
US10273222, Example 39
CN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1
|
C19H18ClFN4O2 388.830000 |
WOTLIULKBGFPAG-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381981; PubChem:CID90407084
|
Local ready
Direct docking supported
|
|
E3L016972
BDB016972
|
US10273222, Example 40
CN(C)CCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C13H16N4O2 260.297000 |
JESVJQKIAGLWLN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381982; PubChem:CID90407318
|
Local ready
Direct docking supported
|
|
E3L016973
BDB016973
|
2-(1-propyl-1H-imidazol-4-yl)pyridine-4-carboxylic acid
CCCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C12H13N3O2 231.255000 |
OJXCGLCDLOSZJU-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381983; PubChem:CID90406886
|
Local ready
Direct docking supported
|
|
E3L016974
BDB016974
|
US10273222, Example 42
CN(C)CCCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C14H18N4O2 274.324000 |
GRMUJVXRUPGPQV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381984; PubChem:CID90407364
|
Local ready
Direct docking supported
|
|
E3L016975
BDB016975
|
US10273222, Example 43
O=C(O)c1ccnc(-c2cn(CCN3CCCC3)cn2)c1
|
C15H18N4O2 286.335000 |
HRUSUMNASSGDCN-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381985; PubChem:CID90407056
|
Local ready
Direct docking supported
|
|
E3L016976
BDB016976
|
US10273222, Example 45
O=C(O)c1ccnc(-c2cn(CCN3CCOCC3)cn2)c1
|
C15H18N4O3 302.334000 |
KGVYZQBMOYMEEW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM381986; PubChem:CID90407723
|
Local ready
Direct docking supported
|
|
E3L016977
BDB016977
|
US10273222, Example 46
O=C(O)c1ccnc(-c2cn(CCn3cccn3)cn2)c1
|
C14H13N5O2 283.291000 |
FJDQJUPBHKHILS-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381987; PubChem:CID90407832
|
Local ready
Direct docking supported
|
|
E3L016978
BDB016978
|
US10273222, Example 47
O=C(O)c1ccnc(-c2cn(Cc3ccccn3)cn2)c1
|
C15H12N4O2 280.287000 |
UTPBRCSMWYKMEF-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381988; PubChem:CID90407369
|
Local ready
Direct docking supported
|
|
E3L016979
BDB016979
|
US10273222, Example 48
CN(C)CCOCCn1cnc(-c2cc(C(=O)O)ccn2)c1
|
C15H20N4O3 304.350000 |
CGBVLABAVLQTCP-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381989; PubChem:CID90407330
|
Local ready
Direct docking supported
|
|
E3L016980
BDB016980
|
US10273222, Example 49
CN1CCC(n2cnc(-c3cc(C(=O)O)ccn3)c2)CC1
|
C15H18N4O2 286.335000 |
BBZPYYFGCFYAQI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM381990; PubChem:CID90407258
|
Local ready
Direct docking supported
|