| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L017041
BDB017041
|
US10273222, Example 111
O=C(O)c1ccnc(-c2cn(Cc3cccc(-c4ccccc4)c3)cn2)c1
|
C22H17N3O2 355.397000 |
IGXZIIVCDBVBSB-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382051; PubChem:CID90407168
|
Local ready
Direct docking supported
|
|
E3L017042
BDB017042
|
US10273222, Example 112
O=C(O)c1ccnc(-c2cn(CCc3cccc4ccccc34)cn2)c1
|
C21H17N3O2 343.386000 |
HJHPUQDFLVHFFZ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382052; PubChem:CID90408184
|
Local ready
Direct docking supported
|
|
E3L017043
BDB017043
|
US10273222, Example 113
O=C(O)c1ccnc(-c2cn(CCc3cccc(Cl)c3)cn2)c1
|
C17H14ClN3O2 327.771000 |
BESMUAVQUOPJOH-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382053; PubChem:CID90407543
|
Local ready
Direct docking supported
|
|
E3L017044
BDB017044
|
BDBM382054
O=C(O)c1ccnc(-c2cn(CCC3CCCCC3)cn2)c1
|
C17H21N3O2 299.374000 |
JJIYEQBZHWJIEX-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382054; PubChem:CID90406619
|
Local ready
Direct docking supported
|
|
E3L017045
BDB017045
|
BDBM382055
O=C(O)c1ccnc(-c2cn(CC3CCCCC3)cn2)c1
|
C16H19N3O2 285.347000 |
QUFQGCNSUGFPRL-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382055; PubChem:CID90407155
|
Local ready
Direct docking supported
|
|
E3L017046
BDB017046
|
US10273222, Example 116
O=C(O)c1ccnc(-c2cn(CC3CCCc4ccccc43)cn2)c1
|
C20H19N3O2 333.391000 |
XHNIEVIJHDHWDQ-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382056; PubChem:CID90407440
|
Local ready
Direct docking supported
|
|
E3L017047
BDB017047
|
US10273222, Example 117
O=C(O)c1ccnc(-c2cn(Cc3cccc(C(F)(F)F)c3)cn2)c1
|
C17H12F3N3O2 347.296000 |
JQYLYLCPLZVGGQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382057; PubChem:CID90406689
|
Local ready
Direct docking supported
|
|
E3L017048
BDB017048
|
US10273222, Example 120
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(F)cc1OCC1CC1
|
C20H18FN3O3 367.380000 |
CDCAKPHONNAIQI-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 5A, Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382058; PubChem:CID90408075
|
Local ready
Direct docking supported
|
|
E3L017049
BDB017049
|
US10273222, Example 121
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1cc(F)c(F)cc1OCC1CC1
|
C20H17F2N3O3 385.370000 |
PZUPDEOZRJAYNQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382059; PubChem:CID90407657
|
Local ready
Direct docking supported
|
|
E3L017050
BDB017050
|
US10273222, Example 122
Cn1cnc(-c2cc(C(=O)O)ccn2)c1-c1c(F)cccc1OCC1CC1
|
C20H18FN3O3 367.380000 |
ZBFLZYQTWARVNO-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382060; PubChem:CID90407532
|
Local ready
Direct docking supported
|
|
E3L017051
BDB017051
|
US10273222, Example 123
Cc1ccc(OCC2CC2)c(-c2c(-c3cc(C(=O)O)ccn3)ncn2C)c1
|
C21H21N3O3 363.417000 |
CLOYPTYRSHJGFE-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382061; PubChem:CID90407165
|
Local ready
Direct docking supported
|
|
E3L017052
BDB017052
|
US10273222, Example 124
O=C(O)c1ccnc(-c2ncn(CCc3ccccc3Cl)c2-c2ccc(F)cc2)c1
|
C23H17ClFN3O2 421.859000 |
GQLJLAHNTIEQPG-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382062; PubChem:CID90407848
|
Local ready
Direct docking supported
|
|
E3L017053
BDB017053
|
US10273222, Example 125
O=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(F)cc2)c1
|
C19H16FN3O2 337.354000 |
CRVQLJOEUPYQFD-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382063; PubChem:CID90407851
|
Local ready
Direct docking supported
|
|
E3L017054
BDB017054
|
US10273222, Example 126
O=C(O)c1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1
|
C19H16ClN3O2 353.809000 |
QZSXNGRUEXSCKN-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382064; PubChem:CID90407323
|
Local ready
Direct docking supported
|
|
E3L017055
BDB017055
|
US10273222, Example 127
O=C(O)c1ccnc(-c2ncn(Cc3ccccc3Cl)c2-c2ccc(F)cc2)c1
|
C22H15ClFN3O2 407.832000 |
VWDTXIZUIKCKPI-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382065; PubChem:CID90407438
|
Local ready
Direct docking supported
|
|
E3L017056
BDB017056
|
BDBM382066
CCOc1ccccc1CCn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C19H19N7O 361.409000 |
DYUVWVIMLOBJJR-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382066; PubChem:CID90408074
|
Local ready
Direct docking supported
|
|
E3L017057
BDB017057
|
BDBM382067
Clc1ccccc1Cn1cnc(-c2cc(-c3nn[nH]n3)ccn2)c1
|
C16H12ClN7 337.774000 |
FQGUTBFYFQAJJX-UHFFFAOYSA-N | P29375, Q8NHM5 | Lysine-specific demethylase 2B, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM382067; PubChem:CID90407535
|
Local ready
Direct docking supported
|
|
E3L017058
BDB017058
|
BDBM382068
Clc1cccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)c1
|
C16H12ClN7 337.774000 |
FXMXMXDWUPEOHJ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382068; PubChem:CID90406905
|
Local ready
Direct docking supported
|
|
E3L017059
BDB017059
|
BDBM382069
Clc1ccc(Cn2cnc(-c3cc(-c4nn[nH]n4)ccn3)c2)cc1
|
C16H12ClN7 337.774000 |
BDSGDBHMKQRXML-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382069; PubChem:CID90407498
|
Local ready
Direct docking supported
|
|
E3L017060
BDB017060
|
BDBM382070
Fc1ccc(-c2c(-c3cc(-c4nn[nH]n4)ccn3)ncn2CCc2ccccc2Cl)cc1
|
C23H17ClFN7 445.889000 |
HQHTWKLZEQTHKQ-UHFFFAOYSA-N | Q8NHM5 | Lysine-specific demethylase 2B |
BindingDB, PubChem
BindingDB:BDBM382070; PubChem:CID90407156
|
Local ready
Direct docking supported
|