| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005201
BDB005201
|
US8680132, CB061-Isomer B
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](c2cccc(Cl)c2)[C@]12C(=O)Nc1cc(Cl)c(F)cc12
|
C29H34Cl2FN3O3 562.513000 |
SJAWWEKCOBDMOT-NZVKTDFMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119745; PubChem:CID53476987
|
Local ready
Direct docking supported
|
|
E3L005202
BDB005202
|
US8680132, CB087-Isomer B
O=C(NC1CCC(O)CC1)[C@@H]1N[C@@H](c2ccccc2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C30H28Cl2FN3O3 568.476000 |
WQZCMLRWVAQNJN-PUTKSNFBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119746; PubChem:CID69498317
|
Local ready
Direct docking supported
|
|
E3L005203
BDB005203
|
US8680132, CB083-Isomer B
O=C(NC1CCC(O)CC1)[C@@H]1N[C@@H](c2ccccc2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1Cc1ccccc1
|
C31H32ClN3O3 530.068000 |
AYTRBAIVAGROLH-YUQYGQRHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119747; PubChem:CID69498318
|
Local ready
Direct docking supported
|
|
E3L005204
BDB005204
|
US8680132, CB084-Isomer B
CC(C)(C)C[C@@H]1N[C@@H](C(=O)NC2CCC(O)CC2)[C@H](Cc2ccccc2)[C@]12C(=O)Nc1cc(Cl)ccc12
|
C30H38ClN3O3 524.105000 |
LRJBXXRILYOKRP-CPMFLMQVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM119748; PubChem:CID68060954
|
Local ready
Direct docking supported
|
|
E3L005205
BDB005205
|
BDBM119749
CCN1[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1
|
C30H36Cl2FN3O3 576.540000 |
POOPNLXAGUARSE-SRZAULEESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119749
|
Local ready
Direct docking supported
|
|
E3L005206
BDB005206
|
BDBM119750
CN1[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)N[C@H]1C[C@@](C)(O)C1
|
C29H34Cl2FN3O3 562.513000 |
DYTUNXFWZMTYRO-PGVPUVQYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119750
|
Local ready
Direct docking supported
|
|
E3L005207
BDB005207
|
BDBM119751
CC(C)(C)C[C@@H]1N(N(C(=O)C(F)(F)F)C2CC(C)(O)C2)[C@@H](C(=O)O)[C@H](c2cccc(F)c2F)C12C(=O)Nc1cc(Cl)c(F)cc12
|
C30H30ClF6N3O5 662.027000 |
XIZIOVPHELHJAL-OBFAPSOSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM119751
|
Local ready
Direct docking supported
|
|
E3L005208
BDB005208
|
BDBM121388
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1
|
C27H26N6O2S 498.612000 |
VKBFHTIUXUCYRQ-KRWDZBQOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM121388; PubChem:CID68620328
|
Local ready
Direct docking supported
|
|
E3L005209
BDB005209
|
BDBM121389
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1
|
C28H28N6O3S 528.638000 |
ADLPKFFMGIJZIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM121389; PubChem:CID46223479
|
Local ready
Direct docking supported
|
|
E3L005210
BDB005210
|
BDBM121390
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](O)CO)c5)cnc(N)c34)cc2)cc1
|
C27H26N6O4S 530.610000 |
BRTHUECZMVKNMQ-FQEVSTJZSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM121390; PubChem:CID46223480
|
Local ready
Direct docking supported
|
|
E3L005211
BDB005211
|
BDBM124945
CC1c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
|
C21H28FN3O2 373.472000 |
JMSHIEXDPIOMCA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124945; PubChem:CID49871952
|
Local ready
Direct docking supported
|
|
E3L005212
BDB005212
|
BDBM124946
CC1(C)c2cc(F)cc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
|
C22H30FN3O2 387.499000 |
RHZLKURJTVXKLN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124946; PubChem:CID49872542
|
Local ready
Direct docking supported
|
|
E3L005213
BDB005213
|
BDBM124948
CC1c2cccc(C(N)=O)c2C(=O)N1c1ccc(N2CCOCC2)cc1
|
C20H21N3O3 351.406000 |
AKTXWCQUUJBHMH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124948; PubChem:CID49872922
|
Local ready
Direct docking supported
|
|
E3L005214
BDB005214
|
BDBM124949
CC1c2cccc(C(N)=O)c2C(=O)N1c1ccc(N2CCCCC2)cc1
|
C21H23N3O2 349.434000 |
BSVYTBKKKRLCDP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124949; PubChem:CID49872640
|
Local ready
Direct docking supported
|
|
E3L005215
BDB005215
|
BDBM124950
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
|
C21H29N3O2 355.482000 |
OYGLTKXMFGWXJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124950; PubChem:CID49873225
|
Local ready
Direct docking supported
|
|
E3L005216
BDB005216
|
BDBM124951
C[C@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
|
C21H29N3O2 355.482000 |
OYGLTKXMFGWXJT-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM124951
|
Local ready
Direct docking supported
|
|
E3L005217
BDB005217
|
BDBM124952
C[C@@H]1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCCC2)CC1
|
C21H29N3O2 355.482000 |
OYGLTKXMFGWXJT-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124952; PubChem:CID49873226
|
Local ready
Direct docking supported
|
|
E3L005218
BDB005218
|
BDBM124953
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC(F)(F)CC2)CC1
|
C21H27F2N3O2 391.462000 |
HIVSCMNNQFXGAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124953; PubChem:CID49873227
|
Local ready
Direct docking supported
|
|
E3L005219
BDB005219
|
BDBM124954
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc3[nH]ccc3c2)CC1
|
C24H26N4O2 402.498000 |
VIRDOICEJCBSHC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124954; PubChem:CID49873228
|
Local ready
Direct docking supported
|
|
E3L005220
BDB005220
|
BDBM124955
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2cn(C(C)C)c3ccccc23)CC1
|
C27H32N4O2 444.579000 |
AMCUOQGXZLNRJN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124955; PubChem:CID49872919
|
Local ready
Direct docking supported
|