| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L030241
BDB030241
|
US11691968, Example 40
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C(F)F)C2)c1
|
C17H22F2N4O2 352.385000 |
MHYJPOVWHJXQEI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608072; PubChem:CID167524576
|
Local ready
Direct docking supported
|
|
E3L030242
BDB030242
|
BDBM608073
O=C(c1cn(C2CC2)cn1)N1C[C@@H]2[C@H](C1)[C@H]2C1=NOC2(CC2)C1
|
C17H20N4O2 312.373000 |
QKJRBVBERXPPIX-JYAVWHMHSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM608073
|
Local ready
Direct docking supported
|
|
E3L030243
BDB030243
|
US11691968, Example 55
Cc1onc(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)c1-c1ccccc1
|
C22H24N4O2 376.460000 |
AROZBFWMXNVTLN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608074; PubChem:CID167524604
|
Local ready
Direct docking supported
|
|
E3L030244
BDB030244
|
US11691968, Example 56
Cc1cc(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)no1
|
C16H20N4O2 300.362000 |
BQTJLFOVNLUPFY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608075; PubChem:CID167524461
|
Local ready
Direct docking supported
|
|
E3L030245
BDB030245
|
US11691968, Example 59
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C2=NOC(C)(C)N2C)c1
|
C17H25N5O2 331.420000 |
KPTGVIIQAARMAH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608076; PubChem:CID167524481
|
Local ready
Direct docking supported
|
|
E3L030246
BDB030246
|
US11691968, Example 60
CCN1C(C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)=NOC1(C)C
|
C18H27N5O2 345.447000 |
ZUUAPHURZXOPCR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608077; PubChem:CID167524545
|
Local ready
Direct docking supported
|
|
E3L030247
BDB030247
|
US11691968, Example 62
CC(C)n1cnc(C(=O)N2CC3C(C2)C3c2nnn3ccccc23)c1
|
C18H20N6O 336.399000 |
RIQDTFFFDKPBAU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608078; PubChem:CID167524512
|
Local ready
Direct docking supported
|
|
E3L030248
BDB030248
|
US11691968, Example 63
CC(C)n1cnc(C(=O)N2CC3C(C2)C3c2nnn[nH]2)c1
|
C13H17N7O 287.327000 |
OKUPWWPBALOJLU-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608079; PubChem:CID167524504
|
Local ready
Direct docking supported
|
|
E3L030249
BDB030249
|
US11691968, Example 65
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)NC(C)(C)C)c1
|
C17H26N4O2 318.421000 |
RQJBMICURYTJKH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608080; PubChem:CID167524507
|
Local ready
Direct docking supported
|
|
E3L030250
BDB030250
|
US11691968, Example 66
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)N(C)C(C)(C)C)c1
|
C18H28N4O2 332.448000 |
TWUJMWMDAWIMJX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608081; PubChem:CID167524496
|
Local ready
Direct docking supported
|
|
E3L030251
BDB030251
|
US11691968, Example 69
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)N(C)C2(C#N)CC2)c1
|
C18H23N5O2 341.415000 |
MMCRJAJVHRPWET-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608082; PubChem:CID167524479
|
Local ready
Direct docking supported
|
|
E3L030252
BDB030252
|
US11691968, Example 75
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)C2CC2)c1
|
C16H21N3O2 287.363000 |
YJQZYYAHVBHGEK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608083; PubChem:CID167524474
|
Local ready
Direct docking supported
|
|
E3L030253
BDB030253
|
US11691968, Example 76
CC(C)n1cnc(C(=O)N2CC3C(C2)C3C(=O)c2cccs2)c1
|
C17H19N3O2S 329.425000 |
MNSOWDMDYJFSLD-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608084; PubChem:CID167524465
|
Local ready
Direct docking supported
|
|
E3L030254
BDB030254
|
US11691968, Example 77
Cc1csc(C(=O)C2C3CN(C(=O)c4cn(C(C)C)cn4)CC32)c1
|
C18H21N3O2S 343.452000 |
DLTHNYYLLLWXSS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608085; PubChem:CID167524462
|
Local ready
Direct docking supported
|
|
E3L030255
BDB030255
|
BDBM608086
CC(C)n1cnc(C(=O)N2C[C@@H]3[C@H](C2)[C@@]3(C)C2=NOC(C)(C)C2)c1
|
C18H26N4O2 330.432000 |
NRGDYFSIBDMHKE-MCBXIFIFSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM608086
|
Local ready
Direct docking supported
|
|
E3L030256
BDB030256
|
BDBM608087
CC1(C)CC([C@@]2(C)[C@@H]3CN(C(=O)c4cn(C5CC5)cn4)C[C@@H]32)=NO1
|
C18H24N4O2 328.416000 |
YTBUTMFDMVPZNY-MCBXIFIFSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM608087
|
Local ready
Direct docking supported
|
|
E3L030257
BDB030257
|
US11691968, Example 84
CC(C)n1cnc(C(=O)N2CC3C(C2)C3(C)C2=NOC3(CC3)C2)c1
|
C18H24N4O2 328.416000 |
VRLZGEARFQFGTC-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608088; PubChem:CID166520585
|
Local ready
Direct docking supported
|
|
E3L030258
BDB030258
|
BDBM608089
C[C@]1(C2=NOC3(CC3)C2)[C@@H]2CN(C(=O)c3cn(C4CC4)cn3)C[C@@H]21
|
C18H22N4O2 326.400000 |
VILSJNMTKYAVEI-LAQFHYBYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM608089
|
Local ready
Direct docking supported
|
|
E3L030259
BDB030259
|
US11691968, Example 87
CC(C)n1cnc(C(=O)N2CC3C(C2)C3(C)C(=O)NC(C)(C)C)c1
|
C18H28N4O2 332.448000 |
QYXWYKOZGTYWNS-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM608090; PubChem:CID167524517
|
Local ready
Direct docking supported
|
|
E3L030260
BDB030260
|
BDBM608091
CC(C)c1cc(C(=O)N2C[C@@H]3[C@H](C2)[C@H]3C2=NOC(C)(C)C2)n[nH]1
|
C17H24N4O2 316.405000 |
IOCKVWCVBIBIJK-HBYGRHMLSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB
BindingDB:BDBM608091
|
Local ready
Direct docking supported
|