| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L004521
BDB004521
|
BDBM112758
O=C(O)C1CCC(CNC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C31H34Cl2FN3O4 602.534000 |
TURZYRGEJPLUDI-NWGSXLAYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112758
|
Local ready
Direct docking supported
|
|
E3L004522
BDB004522
|
BDBM112759
O=C(O)c1ccc(CNC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1
|
C31H28Cl2FN3O4 596.486000 |
YGDUAQBHMIIUNT-UZXRVZLOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112759
|
Local ready
Direct docking supported
|
|
E3L004523
BDB004523
|
BDBM112760
CS(=O)(=O)NC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C24H24Cl2FN3O4S 540.444000 |
AVQYUHKLFSSGRH-MFSJNOQSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112760
|
Local ready
Direct docking supported
|
|
E3L004524
BDB004524
|
BDBM112761
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C31H28Cl2FN3O5 612.485000 |
BWIALTALKVTEJS-UZXRVZLOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112761
|
Local ready
Direct docking supported
|
|
E3L004525
BDB004525
|
BDBM112762
O=C(NCc1nnn[nH]1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C25H24Cl2FN7O2 544.418000 |
YDDSTBSWKZWEBC-PIBDYAPNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112762
|
Local ready
Direct docking supported
|
|
E3L004526
BDB004526
|
BDBM112763
CC1(O)CC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
|
C28H30Cl2FN3O3 546.470000 |
CQRICESTNDBKIY-WLDWBWCKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112763
|
Local ready
Direct docking supported
|
|
E3L004527
BDB004527
|
BDBM112764
CNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)ccc1OC(C)(C)C(=O)O
|
C28H31Cl2N3O5 560.478000 |
VKRAWLZAPQTXKW-PFPZSTESSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112764
|
Local ready
Direct docking supported
|
|
E3L004528
BDB004528
|
BDBM112765
CNC(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cc(Cl)cnc1OC(C)(C)C(=O)O
|
C27H30Cl2N4O5 561.466000 |
GDKORIPRSJAYBE-ASHZAFPQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112765
|
Local ready
Direct docking supported
|
|
E3L004529
BDB004529
|
BDBM112766
O=C(O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cn1
|
C29H25Cl2FN4O4 583.447000 |
YRQMWWJYNFOFFG-IQANXLHVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112766
|
Local ready
Direct docking supported
|
|
E3L004530
BDB004530
|
BDBM112767
O=C(O)CN1CCC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C30H33Cl2FN4O4 603.522000 |
IQBSUVGURXIBHW-RFJFUGTDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112767
|
Local ready
Direct docking supported
|
|
E3L004531
BDB004531
|
BDBM112768
CC(=O)N1CC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)C1
|
C28H29Cl2FN4O3 559.469000 |
SDCCOKXGHZANMZ-ZQIDGUAPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112768
|
Local ready
Direct docking supported
|
|
E3L004532
BDB004532
|
BDBM112769
O=C(NC1CN(C(=O)O)C1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C27H27Cl2FN4O4 561.441000 |
LBWSUSASHAUZFI-ZVUIFXONSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112769
|
Local ready
Direct docking supported
|
|
E3L004533
BDB004533
|
BDBM112770
O=C(O)C1CCC(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)CC1
|
C30H32Cl2FN3O4 588.507000 |
XIKFXEUSDBQREV-SJJRRZJRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112770
|
Local ready
Direct docking supported
|
|
E3L004534
BDB004534
|
BDBM112771
O=C(NC1CCC(O)CC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C29H32Cl2FN3O3 560.497000 |
QQOSBFYZJBKRMS-DJUSMVAGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112771
|
Local ready
Direct docking supported
|
|
E3L004535
BDB004535
|
BDBM112772
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cncc(Cl)c1
|
C28H32Cl2N4O3 543.495000 |
WLGWITVWSYJSBH-ZEKBRLKRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112772
|
Local ready
Direct docking supported
|
|
E3L004536
BDB004536
|
BDBM112773
O=C(O)c1cccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)c1
|
C30H26Cl2FN3O4 582.459000 |
OBRQIAOWJAIPGR-LOLKONATSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM112773
|
Local ready
Direct docking supported
|
|
E3L004537
BDB004537
|
BDBM116320
COc1ccccc1C(CNS(C)(=O)=O)Nc1ncnc2c(C(N)=O)cccc12
|
C19H21N5O4S 415.475000 |
JGXROPLVOKSZBY-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116320; PubChem:CID66763056
|
Local ready
Direct docking supported
|
|
E3L004538
BDB004538
|
BDBM116321
NCC(Nc1ncnc2c(C(N)=O)cccc12)c1ccc(Cl)c(Cl)c1
|
C17H15Cl2N5O 376.247000 |
UALHJBCHHRMERK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116321; PubChem:CID46853753
|
Local ready
Direct docking supported
|
|
E3L004539
BDB004539
|
BDBM116322
NCCCOc1cc(C(N)=O)c2ncnc(NCc3ccc(C(F)(F)F)cc3)c2c1
|
C20H20F3N5O2 419.407000 |
VKFUNUQPBVSYIZ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116322; PubChem:CID66763461
|
Local ready
Direct docking supported
|
|
E3L004540
BDB004540
|
BDBM116323
NCC(Nc1ncnc2c(C(N)=O)cccc12)c1cccc(Cl)c1
|
C17H16ClN5O 341.802000 |
VXICAQQGSOIIMS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM116323; PubChem:CID46869640
|
Local ready
Direct docking supported
|