| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L056241
BDB056241
|
BDBM50440028
O=C(CCc1cccc(Cl)c1Cl)Nc1nnc2n1CCS2
|
C13H12Cl2N4OS 343.239000 |
APINASOTMBYJNI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50440028; PubChem:CID73293055
|
Local ready
Direct docking supported
|
|
E3L056242
BDB056242
|
BDBM50440029
O=C(CCc1c(Cl)cccc1Cl)Nc1nnc2n1CCS2
|
C13H12Cl2N4OS 343.239000 |
DJNXWSQAIXTYAO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50440029; PubChem:CID73293053
|
Local ready
Direct docking supported
|
|
E3L056243
BDB056243
|
BDBM50440032
CC(C)CC(=O)Nc1nnc2n1CCS2
|
C9H14N4OS 226.305000 |
ONMIHAIKNBLEMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50440032; PubChem:CID16031314
|
Local ready
Direct docking supported
|
|
E3L056244
BDB056244
|
3-[Hydroxy(9-phenylnonanoyl)amino]propanoic acid
O=C(O)CCN(O)C(=O)CCCCCCCCc1ccccc1
|
C18H27NO4 321.417000 |
OSZACJJEDFRFON-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440285; PubChem:CID71735840
|
Local ready
Direct docking supported
|
|
E3L056245
BDB056245
|
3-[9-Cycloheptylnonanoyl(hydroxy)amino]propanoic acid
O=C(O)CCN(O)C(=O)CCCCCCCCC1CCCCCC1
|
C19H35NO4 341.492000 |
VVZLHQFURHPPLX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440286; PubChem:CID71735842
|
Local ready
Direct docking supported
|
|
E3L056246
BDB056246
|
3-[9-Cyclohexylnonanoyl(hydroxy)amino]propanoic acid
O=C(O)CCN(O)C(=O)CCCCCCCCC1CCCCC1
|
C18H33NO4 327.465000 |
JFPFFLJDNQHWMA-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440287; PubChem:CID71735687
|
Local ready
Direct docking supported
|
|
E3L056247
BDB056247
|
3-[9-Cyclopentylnonanoyl(hydroxy)amino]propanoic acid
O=C(O)CCN(O)C(=O)CCCCCCCCC1CCCC1
|
C17H31NO4 313.438000 |
NCMJMURXNRVNIN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440288; PubChem:CID71735841
|
Local ready
Direct docking supported
|
|
E3L056248
BDB056248
|
N-(9-Cyclopropyl-1-oxononyl)-N-hydroxy-beta-alanine
O=C(O)CCN(O)C(=O)CCCCCCCCC1CC1
|
C15H27NO4 285.384000 |
NEHSERYKENINRH-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440289; PubChem:CID71735843
|
Local ready
Direct docking supported
|
|
E3L056249
BDB056249
|
3-[Decanoyl(hydroxy)amino]propanoic acid
CCCCCCCCCC(=O)N(O)CCC(=O)O
|
C13H25NO4 259.346000 |
BVKPKFOSMPFIBN-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440290; PubChem:CID71735839
|
Local ready
Direct docking supported
|
|
E3L056250
BDB056250
|
Methyl 3-[hydroxy(10-methylundecanoyl)amino]propanoate
COC(=O)CCN(O)C(=O)CCCCCCCCC(C)C
|
C16H31NO4 301.427000 |
RIZSDSAXFUJCIG-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440291; PubChem:CID73333510
|
Local ready
Direct docking supported
|
|
E3L056251
BDB056251
|
3-[Hydroxy(10-methylundecanoyl)amino]propanoic acid
CC(C)CCCCCCCCC(=O)N(O)CCC(=O)O
|
C15H29NO4 287.400000 |
GKYNMRDLPZEFFB-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440292; PubChem:CID73352277
|
Local ready
Direct docking supported
|
|
E3L056252
BDB056252
|
BDBM50440560
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)s1)N1CCC(N2CCCC2)CC1
|
C24H36N4O2S 444.645000 |
DXYZHMYQVXITLW-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440560; PubChem:CID73333127
|
Local ready
Direct docking supported
|
|
E3L056253
BDB056253
|
BDBM50440561
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)o1)N1CCC(N2CCCC2)CC1
|
C24H36N4O3 428.577000 |
CWHSXVLZCSVPNR-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440561; PubChem:CID73333126
|
Local ready
Direct docking supported
|
|
E3L056254
BDB056254
|
BDBM50440562
O=C(c1ccc2cc(C(=O)N3CCC(N4CCCC4)CC3)ccc2c1)N1CCC(N2CCCC2)CC1
|
C30H40N4O2 488.676000 |
PNOFHNWKTSYJQI-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440562; PubChem:CID73333125
|
Local ready
Direct docking supported
|
|
E3L056255
BDB056255
|
BDBM50440563
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c2ccccc12)N1CCC(N2CCCC2)CC1
|
C30H40N4O2 488.676000 |
DHHJYZJPDYGXTE-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440563; PubChem:CID73334700
|
Local ready
Direct docking supported
|
|
E3L056256
BDB056256
|
BDBM50440564
Cc1cc(C(=O)N2CCC(N3CCCC3)CC2)c(C)cc1C(=O)N1CCC(N2CCCC2)CC1
|
C28H42N4O2 466.670000 |
GYLLVMCMBGNTPI-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440564; PubChem:CID73334699
|
Local ready
Direct docking supported
|
|
E3L056257
BDB056257
|
BDBM50440565
O=C(c1c(F)c(F)c(C(=O)N2CCC(N3CCCC3)CC2)c(F)c1F)N1CCC(N2CCCC2)CC1
|
C26H34F4N4O2 510.576000 |
FXJZBQCICDTLDO-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A, PHD finger protein 23 |
BindingDB, PubChem
BindingDB:BDBM50440565; PubChem:CID73334698
|
Local ready
Direct docking supported
|
|
E3L056258
BDB056258
|
BDBM50440566
Nc1cc(C(=O)N2CCC(N3CCCC3)CC2)ccc1C(=O)N1CCC(N2CCCC2)CC1
|
C26H39N5O2 453.631000 |
KTJRRGSBWCVPRP-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | PHD finger protein 23, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50440566; PubChem:CID73334697
|
Local ready
Direct docking supported
|
|
E3L056259
BDB056259
|
BDBM50440567
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c([N+](=O)[O-])c1)N1CCC(N2CCCC2)CC1
|
C26H37N5O4 483.613000 |
CBIKBQZFFZTRHZ-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | PHD finger protein 23, E3 ubiquitin-protein ligase UHRF1, Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM50440567; PubChem:CID73334696
|
Local ready
Direct docking supported
|
|
E3L056260
BDB056260
|
BDBM50440568
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)CC2)c(Br)c1)N1CCC(N2CCCC2)CC1
|
C26H37BrN4O2 517.512000 |
NONWCDXEYNQQEC-UHFFFAOYSA-N | P29375, Q96T88, Q9BUL5 | PHD finger protein 23, Lysine-specific demethylase 5A, E3 ubiquitin-protein ligase UHRF1 |
BindingDB, PubChem
BindingDB:BDBM50440568; PubChem:CID73352326
|
Local ready
Direct docking supported
|