| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045621
BDB045621
|
BDBM50095454
CCCCN(C)CCCCCCC(=O)N(O)CCC(=O)O
|
C15H30N2O4 302.415000 |
ALWLHHBHWPKNSP-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095454; PubChem:CID122181580
|
Local ready
Direct docking supported
|
|
E3L045622
BDB045622
|
BDBM50095455
CN(C)CCCCC(=O)N(O)CCC(=O)O
|
C10H20N2O4 232.280000 |
DXHOTYILSHSDKX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095455; PubChem:CID53380011
|
Local ready
Direct docking supported
|
|
E3L045623
BDB045623
|
BDBM50095456
CCN(C)CCCCC(=O)N(O)CCC(=O)O
|
C11H22N2O4 246.307000 |
BUMAHXPGJKJFOV-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095456; PubChem:CID122181581
|
Local ready
Direct docking supported
|
|
E3L045624
BDB045624
|
BDBM50095457
CCCN(C)CCCCC(=O)N(O)CCC(=O)O
|
C12H24N2O4 260.334000 |
JZCDGXAGZDVQKZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095457; PubChem:CID122181582
|
Local ready
Direct docking supported
|
|
E3L045625
BDB045625
|
BDBM50095458
CCCCN(CC)CCCCC(=O)N(O)CCC(=O)O
|
C14H28N2O4 288.388000 |
QYIWEQHQVAVZIO-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095458; PubChem:CID122181585
|
Local ready
Direct docking supported
|
|
E3L045626
BDB045626
|
BDBM50095459
CCCCN(CCCC)CCCCC(=O)N(O)CCC(=O)O
|
C16H32N2O4 316.442000 |
JOXLKUIEOCJWEZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095459; PubChem:CID122181586
|
Local ready
Direct docking supported
|
|
E3L045627
BDB045627
|
BDBM50095460
CCCCCN(C)CCCCC(=O)N(O)CCC(=O)OC
|
C15H30N2O4 302.415000 |
LDNDMOZSSKLUQI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095460; PubChem:CID122181589
|
Local ready
Direct docking supported
|
|
E3L045628
BDB045628
|
BDBM50095461
CCCCCCN(C)CCCCC(=O)N(O)CCC(=O)OC
|
C16H32N2O4 316.442000 |
VYMWPKMFWCQICK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50095461; PubChem:CID122181590
|
Local ready
Direct docking supported
|
|
E3L045629
BDB045629
|
N-(1-cyano-3-pyrrolidinyl)benzenesulfonamide
N#CN1CCC(NS(=O)(=O)c2ccccc2)C1
|
C11H13N3O2S 251.311000 |
FXILBKWGQQHVJE-UHFFFAOYSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50095489; PubChem:CID9816412
|
Local ready
Direct docking supported
|
|
E3L045630
BDB045630
|
BDBM50095952
N#Cc1ccc(N2CC[C@@H](Nc3c(C(N)=O)cnc4[nH]ccc34)[C@@H](F)C2)nc1
|
C19H18FN7O 379.399000 |
OHNNRNYUHNGDNO-LSDHHAIUSA-N | Q13233 | Mitogen-activated protein kinase kinase kinase 1 |
BindingDB, PubChem
BindingDB:BDBM50095952; PubChem:CID59292007
|
Local ready
Direct docking supported
|
|
E3L045631
BDB045631
|
BDBM50095991
CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(CC)CC5)nc(C)n4)s3)cc2)no1
|
C26H31N9O2S 533.662000 |
DXJBIXWCJZKEHQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50095991; PubChem:CID88876355
|
Local ready
Direct docking supported
|
|
E3L045632
BDB045632
|
BDBM50095992
Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCC(N)CC2)n1
|
C26H28N8OS 500.632000 |
VFXYUDAAKURMHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50095992; PubChem:CID88876331
|
Local ready
Direct docking supported
|
|
E3L045633
BDB045633
|
BDBM50096114
Cc1nc(Nc2ncc(-c3ccc(NC(=O)Nc4ccccc4)cc3)s2)cc(N2CCN(C)CC2)n1
|
C26H28N8OS 500.632000 |
ADLODFKELCDENP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096114; PubChem:CID122181799
|
Local ready
Direct docking supported
|
|
E3L045634
BDB045634
|
BDBM50096115
Cc1cc(NC(=O)Nc2ccc(-c3cnc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)s3)cc2)no1
|
C27H28N6O5S 548.625000 |
BRQRIWCNAPETPD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096115; PubChem:CID60198895
|
Local ready
Direct docking supported
|
|
E3L045635
BDB045635
|
BDBM50096116
CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)c5ccccc5)cc4)s3)nc(C)n2)CC1
|
C27H29N7OS 499.644000 |
BLHRYSFUVASEBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096116; PubChem:CID122181804
|
Local ready
Direct docking supported
|
|
E3L045636
BDB045636
|
BDBM50096117
CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)OCc5ccccc5)cc4)s3)nc(C)n2)CC1
|
C28H31N7O2S 529.670000 |
KUYVQTSLRTWYEA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096117; PubChem:CID122181803
|
Local ready
Direct docking supported
|
|
E3L045637
BDB045637
|
BDBM50096118
CCN1CCN(c2cc(Nc3ncc(-c4ccc(NS(=O)(=O)c5ccccc5)cc4)s3)nc(C)n2)CC1
|
C26H29N7O2S2 535.699000 |
ZFPXSZDEOYAFBZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096118; PubChem:CID122181802
|
Local ready
Direct docking supported
|
|
E3L045638
BDB045638
|
BDBM50096119
CCN1CCN(c2cc(Nc3ncc(-c4ccc(NC(=O)Nc5cc(C6CC6)on5)cc4)s3)nc(C)n2)CC1
|
C27H31N9O2S 545.673000 |
GCPZPTPTTRYEEE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096119; PubChem:CID88876366
|
Local ready
Direct docking supported
|
|
E3L045639
BDB045639
|
BDBM50096120
CCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCC(N)C5)nc(C)n4)s3)cc2)no1
|
C24H27N9O2S 505.608000 |
DUHSHOMFAWSMPC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096120; PubChem:CID60199005
|
Local ready
Direct docking supported
|
|
E3L045640
BDB045640
|
BDBM50096121
CCCCc1cc(NC(=O)Nc2ccc(-c3cnc(Nc4cc(N5CCN(C)CC5)nc(C)n4)s3)cc2)no1
|
C27H33N9O2S 547.689000 |
QQHUJDHUHXTNQO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50096121; PubChem:CID122181801
|
Local ready
Direct docking supported
|