| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L006801
BDB006801
|
3-Bromo-N-(4-(tert-butylamino)butyl)benzamide (11)
CC(C)(C)NCCCCNC(=O)c1cccc(Br)c1
|
C15H23BrN2O 327.266000 |
KVVGVLAALJIOAX-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154555; PubChem:CID91970640
|
Local ready
Direct docking supported
|
|
E3L006802
BDB006802
|
3-Bromo-N-(5-(tert-butylamino)pentyl)benzamide (12)
CC(C)(C)NCCCCCNC(=O)c1cccc(Br)c1
|
C16H25BrN2O 341.293000 |
BYRHNWKYVYERTD-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154556; PubChem:CID91970641
|
Local ready
Direct docking supported
|
|
E3L006803
BDB006803
|
3-Bromo-N-(2-(tert-butylamino)ethyl)benzamide (13)
CC(C)(C)NCCNC(=O)c1cccc(Br)c1
|
C13H19BrN2O 299.212000 |
JMPCRTATNPEPFB-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154557; PubChem:CID91970642
|
Local ready
Direct docking supported
|
|
E3L006804
BDB006804
|
N-(3-(Tert-butylamino)propyl)benzamide (14)
CC(C)(C)NCCCNC(=O)c1ccccc1
|
C14H22N2O 234.343000 |
CEULZDBEMQOZSD-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23, PHD finger protein 1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154558; PubChem:CID91970643
|
Local ready
Direct docking supported
|
|
E3L006805
BDB006805
|
4-Bromo-N-(3-(tert-butylamino)propyl)benzamide (15)
CC(C)(C)NCCCNC(=O)c1ccc(Br)cc1
|
C14H21BrN2O 313.239000 |
POXHZRXWCGLDNF-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154559; PubChem:CID91970644
|
Local ready
Direct docking supported
|
|
E3L006806
BDB006806
|
2-Bromo-N-(3-(tert-butylamino)propyl)benzamide (16)
CC(C)(C)NCCCNC(=O)c1ccccc1Br
|
C14H21BrN2O 313.239000 |
XLNZDYVMOQSTJF-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154560; PubChem:CID91970645
|
Local ready
Direct docking supported
|
|
E3L006807
BDB006807
|
N-(3-(Tert-butylamino)propyl)-3-chlorobenzamide (17)
CC(C)(C)NCCCNC(=O)c1cccc(Cl)c1
|
C14H21ClN2O 268.788000 |
AVMMABMZDKJDHX-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154561; PubChem:CID91970646
|
Local ready
Direct docking supported
|
|
E3L006808
BDB006808
|
N-(3-(Tert-butylamino)propyl)-3-fluorobenzamide (18)
CC(C)(C)NCCCNC(=O)c1cccc(F)c1
|
C14H21FN2O 252.333000 |
CBDFOFRWUSLONZ-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 1, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154562; PubChem:CID91970647
|
Local ready
Direct docking supported
|
|
E3L006809
BDB006809
|
N-[3-(tert-butylamino)propyl]-3-iodobenzamide
CC(C)(C)NCCCNC(=O)c1cccc(I)c1
|
C14H21IN2O 360.239000 |
YKQSWTFGSUNNEI-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1 |
BindingDB, PubChem
BindingDB:BDBM154563; PubChem:CID8699243
|
Local ready
Direct docking supported
|
|
E3L006810
BDB006810
|
N-[3-(tert-butylamino)propyl]-3-(propan-2-yl)benzamide
CC(C)c1cccc(C(=O)NCCCNC(C)(C)C)c1
|
C17H28N2O 276.424000 |
CNTJLQUUYDXEFL-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154564; PubChem:CID91970648
|
Local ready
Direct docking supported
|
|
E3L006811
BDB006811
|
BDBM154565
CC(C)(C)NCCCNC(=O)c1cccc(C(F)(F)F)c1
|
C15H21F3N2O 302.340000 |
UTBTYWGTMLPLJP-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM154565; PubChem:CID91970649
|
Local ready
Direct docking supported
|
|
E3L006812
BDB006812
|
BDBM154566
CC(C)(C)NCCCNC(=O)c1ccc(C(F)(F)F)cc1
|
C15H21F3N2O 302.340000 |
FGCMNOQKWGVRBE-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154566; PubChem:CID91970650
|
Local ready
Direct docking supported
|
|
E3L006813
BDB006813
|
N-(3-(Tert-butylamino)propyl)-3-nitrobenzamide (23)
CC(C)(C)NCCCNC(=O)c1cccc([N+](=O)[O-])c1
|
C14H21N3O3 279.340000 |
OJQHLBIKDBBOQQ-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, PHD finger protein 1, PHD finger protein 23, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154567; PubChem:CID91970651
|
Local ready
Direct docking supported
|
|
E3L006814
BDB006814
|
4-Bromo-N-(3-(tert-butylamino)propyl)picolinamide (24)
CC(C)(C)NCCCNC(=O)c1cc(Br)ccn1
|
C13H20BrN3O 314.227000 |
YOXBOOLUOCFZRQ-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | PHD finger protein 23, PHD finger protein 1, E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM154568; PubChem:CID91970652
|
Local ready
Direct docking supported
|
|
E3L006815
BDB006815
|
BDBM154569
CC(C)(C)NCCCNC(=O)c1cc(C(F)(F)F)ccn1
|
C14H20F3N3O 303.328000 |
UFRHTSILIUYYIT-UHFFFAOYSA-N | O43189, P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, PHD finger protein 1, PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM154569; PubChem:CID91970653
|
Local ready
Direct docking supported
|
|
E3L006816
BDB006816
|
Tas-119
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4Cl)CC3)ccc2F)n[nH]1
|
C23H22Cl2FN5O3 506.365000 |
PLAVWQHGBMTMFR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155565; PubChem:CID71696703
|
Local ready
Direct docking supported
|
|
E3L006817
BDB006817
|
BDBM155566
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(C(F)(F)F)c4F)CC3)ccc2F)n[nH]1
|
C24H22F5N5O3 523.462000 |
GIBXNJNDDSOAHX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155566; PubChem:CID117776494
|
Local ready
Direct docking supported
|
|
E3L006818
BDB006818
|
BDBM155567
COc1ccc(CC2(C(=O)O)CCN(C(=O)c3cccc(Cl)c3F)CC2)nc1Nc1cc(C)[nH]n1
|
C24H25ClFN5O4 501.946000 |
IYDPFVSCKFTRQD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155567; PubChem:CID117776673
|
Local ready
Direct docking supported
|
|
E3L006819
BDB006819
|
BDBM155568
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2Cl)n[nH]1
|
C23H22Cl2FN5O3 506.365000 |
PNSDQTZGJZEYEU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155568; PubChem:CID117776937
|
Local ready
Direct docking supported
|
|
E3L006820
BDB006820
|
BDBM155569
Cc1cc(Nc2nc(CC3(C(=O)O)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1
|
C23H22ClF2N5O3 489.910000 |
FAEQSQDLHPQOMI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM155569; PubChem:CID89793469
|
Local ready
Direct docking supported
|