| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062681
BDB062681
|
BDBM50605134
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNS(=O)(=O)c2ccc(C(=O)O)cc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1F
|
C38H37Cl2F2N3O8S 804.696000 |
KSEXNCWXGFMNCE-QXVSIQMFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605134
|
Local ready
Direct docking supported
|
|
E3L062682
BDB062682
|
BDBM50605135
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNS(=O)(=O)c1cccc(C(=O)O)c1)c1ccc(Cl)cc1F
|
C37H35Cl2F2N3O7S 774.670000 |
JXJFZUNYBUCTHA-GPPWUIAPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605135
|
Local ready
Direct docking supported
|
|
E3L062683
BDB062683
|
BDBM50605136
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNCc1ccc(C(=O)O)cc1)c1ccc(Cl)cc1F
|
C38H37Cl2F2N3O5 724.632000 |
ADABJQRYLTVWQD-QXVSIQMFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605136
|
Local ready
Direct docking supported
|
|
E3L062684
BDB062684
|
BDBM50605137
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(CC(=O)O)cc1)c1ccc(Cl)cc1F
|
C38H37Cl2F2N3O5 724.632000 |
MFNBDHZVNWSVHQ-XIWNBUHBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605137
|
Local ready
Direct docking supported
|
|
E3L062685
BDB062685
|
BDBM50605138
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1ccc(O)nc1)c1ccc(Cl)cc1F
|
C35H34Cl2F2N4O4 683.583000 |
YVYCHPSLYHLLJB-ZOOBUILVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605138
|
Local ready
Direct docking supported
|
|
E3L062686
BDB062686
|
BDBM50605139
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccc(C(=O)O)c1)c1ccc(Cl)cc1F
|
C37H35Cl2F2N3O5 710.605000 |
GUTIKUOFJAOKSI-GPPWUIAPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605139
|
Local ready
Direct docking supported
|
|
E3L062687
BDB062687
|
BDBM50605140
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNc1cccnc1)c1ccc(Cl)cc1F
|
C35H34Cl2F2N4O3 667.584000 |
QFDPRQPDHHTIGZ-JNHBBQSGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605140
|
Local ready
Direct docking supported
|
|
E3L062688
BDB062688
|
BDBM50605141
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CN[C@H]1CC[C@H](O)CC1)c1ccc(Cl)cc1F
|
C36H41Cl2F2N3O4 688.643000 |
DJMRJWCBIVNQQJ-FWULRAEBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605141
|
Local ready
Direct docking supported
|
|
E3L062689
BDB062689
|
BDBM50605142
CC(C)(C)C[C@@H]1N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@H](c2cccc(Cl)c2F)[C@@]1(CNCCO)c1ccc(Cl)cc1F
|
C32H35Cl2F2N3O4 634.551000 |
LJVXKFRDDISGSK-ULWUHOHFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605142
|
Local ready
Direct docking supported
|
|
E3L062690
BDB062690
|
BDBM50605143
CNC[C@]1(c2ccc(Cl)cc2F)[C@H](CC(C)(C)C)N[C@@H](C(=O)Nc2ccc(C(=O)O)cc2)[C@@H]1c1cccc(Cl)c1F
|
C31H33Cl2F2N3O3 604.525000 |
BUJKRAMZMRLBTD-LJQIRTBHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50605143; PubChem:CID168289750
|
Local ready
Direct docking supported
|
|
E3L062691
BDB062691
|
BDBM50605144
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1ccccc1Cl
|
C37H39Cl2FN4O4 693.647000 |
FCCQEEGRHPSPOG-DQGIEBHESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605144
|
Local ready
Direct docking supported
|
|
E3L062692
BDB062692
|
BDBM50605145
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1ccc(Cl)cc1
|
C37H39Cl2FN4O4 693.647000 |
RGOPJRLSQNNTHX-DQGIEBHESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605145
|
Local ready
Direct docking supported
|
|
E3L062693
BDB062693
|
BDBM50605146
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2F)[C@H]1c1cccc(Cl)c1Cl
|
C37H38Cl3FN4O4 728.092000 |
PIDBCPSKJGZVAJ-GXFZAZKKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605146
|
Local ready
Direct docking supported
|
|
E3L062694
BDB062694
|
BDBM50605147
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1
|
C37H40Cl2N4O4 675.657000 |
AUSSYIVWEQYNOZ-DQGIEBHESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605147
|
Local ready
Direct docking supported
|
|
E3L062695
BDB062695
|
BDBM50605148
COc1cc(C(=O)O)ccc1NC(=O)[C@@H]1N[C@@H](CC(C)(C)C)[C@](CNCc2ccncc2)(c2cc(Cl)ccc2F)[C@H]1c1cccc(Cl)c1F
|
C37H38Cl2F2N4O4 711.637000 |
DBSDZHCKYMSDQJ-GXFZAZKKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50605148
|
Local ready
Direct docking supported
|
|
E3L062696
BDB062696
|
BDBM50605282
O=C(COc1ccc2c(c1)CCCN2C(=O)CCl)NCCCCCCCCCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1
|
C43H50ClFN6O6 801.360000 |
FFDCUOYHHZSVET-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50605282; PubChem:CID168277517
|
Local ready
Direct docking supported
|
|
E3L062697
BDB062697
|
BDBM50605317
CC[C@@H]1NC(=O)[C@H](CCCNC(=N)NC)NC(=O)[C@](C)(NC(=O)C(C)C)CCNC(=O)[C@@H](c2ccccc2)NC1=O
|
C28H44N8O5 572.711000 |
ZAIPJVQTYUSDTG-LDFBIXNTSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB
BindingDB:BDBM50605317
|
Local ready
Direct docking supported
|
|
E3L062698
BDB062698
|
BDBM50605318
COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3OC)C2=O)cc(OC)c1
|
C30H31FN4O4 530.600000 |
DVRXVJVTWZDGSC-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605318; PubChem:CID168269455
|
Local ready
Direct docking supported
|
|
E3L062699
BDB062699
|
BDBM50605319
COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3ccc(F)cc3O)C2=O)cc(OC)c1
|
C29H29FN4O4 516.573000 |
FOTQAEWSOCFZJP-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605319; PubChem:CID168270643
|
Local ready
Direct docking supported
|
|
E3L062700
BDB062700
|
BDBM50605320
COc1cc(CN2CCc3c(cc(Cn4ccn(C)c4=N)cc3-c3cccnc3C)C2=O)cc(OC)c1
|
C29H31N5O3 497.599000 |
ISDXSXRXQJIJGT-UHFFFAOYSA-N | P61964 | WD repeat-containing protein 5 |
BindingDB, PubChem
BindingDB:BDBM50605320; PubChem:CID168293846
|
Local ready
Direct docking supported
|