| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L059641
BDB059641
|
BDBM50532928
CC(C)c1c(-c2cnn(C3COC3)c2)[nH]c2c(C#N)cnn2c1=O
|
C16H16N6O2 324.344000 |
KEISHTWDURHGKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532928
|
Local ready
Direct docking supported
|
|
E3L059642
BDB059642
|
BDBM50532929
CC(C)c1c(-c2cnn(-c3ccccc3)c2)[nH]c2c(C#N)cnn2c1=O
|
C19H16N6O 344.378000 |
VDGJHWTVKNMVKW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532929
|
Local ready
Direct docking supported
|
|
E3L059643
BDB059643
|
BDBM50532930
CC(C)c1c(-c2cnn(C3CCC3)c2)[nH]c2c(C#N)cnn2c1=O
|
C17H18N6O 322.372000 |
YPKVULZIHAFEPI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532930
|
Local ready
Direct docking supported
|
|
E3L059644
BDB059644
|
BDBM50532931
CCn1cc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cn1
|
C15H16N6O 296.334000 |
VXYPFSFTSMSILI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532931
|
Local ready
Direct docking supported
|
|
E3L059645
BDB059645
|
BDBM50532932
CC(C)c1c(-c2cnn(C)c2)[nH]c2c(C#N)cnn2c1=O
|
C14H14N6O 282.307000 |
IVOLDEDUWPWUCN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532932
|
Local ready
Direct docking supported
|
|
E3L059646
BDB059646
|
BDBM50532933
CC(C)c1c(-c2cncnc2)[nH]c2c(C#N)cnn2c1=O
|
C14H12N6O 280.291000 |
BNRVTPFDIWJADC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532933
|
Local ready
Direct docking supported
|
|
E3L059647
BDB059647
|
BDBM50532934
CC(C)c1c(-c2cccnc2)[nH]c2c(C#N)cnn2c1=O
|
C15H13N5O 279.303000 |
JSGOYCNABSEAQX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532934
|
Local ready
Direct docking supported
|
|
E3L059648
BDB059648
|
BDBM50532935
Cc1ccc(-c2[nH]c3c(C#N)cnn3c(=O)c2C(C)C)cc1
|
C17H16N4O 292.342000 |
KLUSZYBPGQMLGG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532935
|
Local ready
Direct docking supported
|
|
E3L059649
BDB059649
|
BDBM50532936
CC(C)c1c(-c2ccc(OC(F)(F)F)cc2)[nH]c2c(C#N)cnn2c1=O
|
C17H13F3N4O2 362.311000 |
JXUNYBRBNFLMEX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532936
|
Local ready
Direct docking supported
|
|
E3L059650
BDB059650
|
BDBM50532937
CC(C)c1c(-c2ccc(C(F)(F)F)cc2)[nH]c2c(C#N)cnn2c1=O
|
C17H13F3N4O 346.312000 |
LIPABFYTWLLXJF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532937
|
Local ready
Direct docking supported
|
|
E3L059651
BDB059651
|
BDBM50532938
CC(C)c1c(Oc2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C16H14N4O2 294.314000 |
ZQBPOFRRQUDRSZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532938
|
Local ready
Direct docking supported
|
|
E3L059652
BDB059652
|
BDBM50532939
CC(C)c1c(Nc2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C16H15N5O 293.330000 |
NRZMYIARNBQGHS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532939
|
Local ready
Direct docking supported
|
|
E3L059653
BDB059653
|
BDBM50532940
CC(C)c1c(N(C)C)[nH]c2c(C#N)cnn2c1=O
|
C12H15N5O 245.286000 |
RQELPJYMGQJDMA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532940
|
Local ready
Direct docking supported
|
|
E3L059654
BDB059654
|
BDBM50532941
CC(C)c1c(CCc2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C18H18N4O 306.369000 |
LRALPOPOKQRMOA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532941
|
Local ready
Direct docking supported
|
|
E3L059655
BDB059655
|
BDBM50532942
CC(C)c1c(Cc2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C17H16N4O 292.342000 |
OZMUPYKITYWSGK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532942
|
Local ready
Direct docking supported
|
|
E3L059656
BDB059656
|
BDBM50532943
CC(C)c1c[nH]c2c(C#N)cnn2c1=O
|
C10H10N4O 202.217000 |
RLKYOANLCHXMHZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532943
|
Local ready
Direct docking supported
|
|
E3L059657
BDB059657
|
BDBM50532944
CC(CO)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C16H14N4O2 294.314000 |
HAFOQXZMRRFPEF-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532944
|
Local ready
Direct docking supported
|
|
E3L059658
BDB059658
|
BDBM50532945
CCC(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C17H16N4O 292.342000 |
AJYLHIKNODSZHM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532945
|
Local ready
Direct docking supported
|
|
E3L059659
BDB059659
|
BDBM50532946
N#Cc1cnn2c(=O)c(C3CCC3)c(-c3ccccc3)[nH]c12
|
C17H14N4O 290.326000 |
MPWSLRKXNOJDPI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532946
|
Local ready
Direct docking supported
|
|
E3L059660
BDB059660
|
BDBM50532947
C=C(C)c1c(-c2ccccc2)[nH]c2c(C#N)cnn2c1=O
|
C16H12N4O 276.299000 |
SKMKIWUTRFIVRT-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM50532947
|
Local ready
Direct docking supported
|