| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013821
BDB013821
|
BDBM312988
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1nc(=S)o[nH]1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
|
C81H96N18O13S 1561.839000 |
HLCXKAQSMLQHSZ-CIJDFDRFSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM312988
|
Local ready
Direct docking supported
|
|
E3L013822
BDB013822
|
BDBM312989
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1nc(=S)o[nH]1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
|
C81H96N18O13S 1561.839000 |
HLCXKAQSMLQHSZ-YZMHPAFASA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM312989
|
Local ready
Direct docking supported
|
|
E3L013823
BDB013823
|
BDBM312990
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1nc(=O)o[nH]1)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@@H](C(=O)O)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
|
C81H96N18O14 1545.771000 |
HJBKSCJHQJDSAS-CIJDFDRFSA-N | P98170, Q13489, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM312990
|
Local ready
Direct docking supported
|
|
E3L013824
BDB013824
|
BDBM312991
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@@H]2[C@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)OCc1cn(nn1)[C@@H]1CCN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)[C@@H]1C(=O)N[C@@H](Cc1ccc3ccccc3c1)C(=O)N[C@H](c1nc(=O)o[nH]1)Cc1ccc(cc1)OCc1cn2nn1)C(C)(C)C
|
C81H96N18O14 1545.771000 |
HJBKSCJHQJDSAS-YZMHPAFASA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM312991
|
Local ready
Direct docking supported
|
|
E3L013825
BDB013825
|
N4-phenylpyrimidine-2,4-diamine
Nc1nccc(Nc2ccccc2)n1
|
C10H10N4 186.218000 |
RFRREALVLUCVCA-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM313203; PubChem:CID239967
|
Local ready
Direct docking supported
|
|
E3L013826
BDB013826
|
3-(Benzylamino)pyridazine-4-carboxylic acid
O=C(O)c1ccnnc1NCc1ccccc1
|
C12H11N3O2 229.239000 |
XYQCJTIQNSFLGQ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314097; PubChem:CID80517658
|
Local ready
Direct docking supported
|
|
E3L013827
BDB013827
|
3-[(2-Fluorobenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1ccccc1F
|
C13H11FN2O2 246.241000 |
HPXWQINSNCWZGY-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314098; PubChem:CID81751143
|
Local ready
Direct docking supported
|
|
E3L013828
BDB013828
|
3-[(3-Fluorobenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1cccc(F)c1
|
C13H11FN2O2 246.241000 |
ZIMGHIAKGUTXHI-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314099; PubChem:CID81750451
|
Local ready
Direct docking supported
|
|
E3L013829
BDB013829
|
3-[(4-Fluorobenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1ccc(F)cc1
|
C13H11FN2O2 246.241000 |
LEJXPLDUYCZSQX-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314100; PubChem:CID81750967
|
Local ready
Direct docking supported
|
|
E3L013830
BDB013830
|
3-[(4-Cyanobenzyl)amino]pyridine-4-carboxylic acid
N#Cc1ccc(CNc2cnccc2C(=O)O)cc1
|
C14H11N3O2 253.261000 |
XHBZDRRWWYEHQM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314101; PubChem:CID86728195
|
Local ready
Direct docking supported
|
|
E3L013831
BDB013831
|
BDBM314102
O=C(O)c1ccncc1NCc1ccc(CO)cc1
|
C14H14N2O3 258.277000 |
TWIVONJBMAMBGR-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314102; PubChem:CID90253477
|
Local ready
Direct docking supported
|
|
E3L013832
BDB013832
|
3-[(4-Methoxybenzyl)amino]pyridine-4-carboxylic acid
COc1ccc(CNc2cnccc2C(=O)O)cc1
|
C14H14N2O3 258.277000 |
XKZFNTZMCLZYHZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314103; PubChem:CID59699608
|
Local ready
Direct docking supported
|
|
E3L013833
BDB013833
|
BDBM314104
O=C(O)c1ccncc1NCc1ccc(C(F)(F)F)cc1
|
C14H11F3N2O2 296.248000 |
GJPYGTAPZPFLDE-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314104; PubChem:CID81753337
|
Local ready
Direct docking supported
|
|
E3L013834
BDB013834
|
BDBM314105
O=C(O)c1ccncc1NCc1ccc(-c2ccccc2)cc1
|
C19H16N2O2 304.349000 |
RNBCOBWQQCESLL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314105; PubChem:CID71766727
|
Local ready
Direct docking supported
|
|
E3L013835
BDB013835
|
3-[(4-Chlorobenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1ccc(Cl)cc1
|
C13H11ClN2O2 262.696000 |
YLPWFJOZJJBYAK-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314106; PubChem:CID81749951
|
Local ready
Direct docking supported
|
|
E3L013836
BDB013836
|
BDBM314107
CC(C)Oc1ccc(CNc2cnccc2C(=O)O)cc1
|
C16H18N2O3 286.331000 |
SVSRSWVLYKMWNZ-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314107; PubChem:CID86728198
|
Local ready
Direct docking supported
|
|
E3L013837
BDB013837
|
3-[(4-Phenoxybenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1ccc(Oc2ccccc2)cc1
|
C19H16N2O3 320.348000 |
CWCFXUDVLORTBW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314108; PubChem:CID86728199
|
Local ready
Direct docking supported
|
|
E3L013838
BDB013838
|
US9611221, Example 13
CN(C)Cc1ccccc1CNc1cnccc1C(=O)O
|
C16H19N3O2 285.347000 |
XEQKUHVVPCZDLL-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314109; PubChem:CID90237096
|
Local ready
Direct docking supported
|
|
E3L013839
BDB013839
|
3-[(3,4-Dichlorobenzyl)amino]pyridine-4-carboxylic acid
O=C(O)c1ccncc1NCc1ccc(Cl)c(Cl)c1
|
C13H10Cl2N2O2 297.141000 |
IRAZPDXDKSGWPW-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314110; PubChem:CID86728201
|
Local ready
Direct docking supported
|
|
E3L013840
BDB013840
|
BDBM314111
Cc1cc(Cl)ccc1CNc1cnccc1C(=O)O
|
C14H13ClN2O2 276.723000 |
IAJCQFONENFREM-UHFFFAOYSA-N | P29375 | Lysine-specific demethylase 5A |
BindingDB, PubChem
BindingDB:BDBM314111; PubChem:CID86728203
|
Local ready
Direct docking supported
|