| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L013361
BDB013361
|
US9593129, Example 286
C[C@]1(CC(=O)O)CC(c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)Cc2ccccn2)C2CC2)C1=O
|
C31H33Cl2N3O5S 630.594000 |
QXCSAMHSJAPTPP-CYWCKGBESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299608; PubChem:CID121336940
|
Local ready
Direct docking supported
|
|
E3L013362
BDB013362
|
US9593129, Example 287
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)Cc2cccnc2)C2CC2)C1=O
|
C31H33Cl2N3O5S 630.594000 |
RWUPMJSITUMDJR-WNNCOPHBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299609; PubChem:CID67998840
|
Local ready
Direct docking supported
|
|
E3L013363
BDB013363
|
US9593129, Example 288
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CN(c2ccccn2)S(C)(=O)=O)C2CC2)C1=O
|
C31H33Cl2N3O5S 630.594000 |
HOSMBXODNJOPEP-URKFCYRUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299610; PubChem:CID67998842
|
Local ready
Direct docking supported
|
|
E3L013364
BDB013364
|
US9593129, Example 289
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(C)(=O)=O)C2CC2)C1=O
|
C26H30Cl2N2O5S 553.508000 |
RZGSVRMDUXKDNU-HLMLHLEXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299611; PubChem:CID67999594
|
Local ready
Direct docking supported
|
|
E3L013365
BDB013365
|
US9593129, Example 292
CC[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CNS(=O)(=O)C(C)C)C2CC2)C1=O
|
C29H36Cl2N2O5S 595.589000 |
SGABWWOKAQTLPY-GCMXZSHTSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299612; PubChem:CID68000322
|
Local ready
Direct docking supported
|
|
E3L013366
BDB013366
|
US9593129, Example 344
CC[C@@H](CS(=O)(=O)CC)N1C(=O)[C@@](CC)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C27H33Cl2NO5S 554.536000 |
MABNPXAXACEAMW-CXQACEEJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299663; PubChem:CID58573865
|
Local ready
Direct docking supported
|
|
E3L013367
BDB013367
|
US9593129, Example 391
CC(C)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cc(F)cc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C23H24Cl2FNO3 452.353000 |
SXIGYXSZWFJBLE-KJXAQDMKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299707; PubChem:CID58573702
|
Local ready
Direct docking supported
|
|
E3L013368
BDB013368
|
US9593129, Example 413
CC[C@@H](CN(C)S(=O)(=O)C1CC1)N1C(=O)[C@@](CCN2CCS(=O)(=O)CC2)(CC(N)=O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C33H44Cl2N4O6S2 727.777000 |
FIHLYTVROCTNSC-ZONMCSLISA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299723; PubChem:CID58573235
|
Local ready
Direct docking supported
|
|
E3L013369
BDB013369
|
US9593129, Example 414
CC[C@@H](CN(C)S(=O)(=O)C1CC1)N1C(=O)[C@@]2(C[C@H](c3cccc(Cl)c3)C1c1ccc(Cl)cc1)C[C@H]2C(=O)O
|
C28H32Cl2N2O5S 579.546000 |
NYKRRIQBYZLKHH-LGZULEKGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299724; PubChem:CID121336950
|
Local ready
Direct docking supported
|
|
E3L013370
BDB013370
|
US9593129, Example 415
CC[C@@H]([C@@H](O)CO)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C25H29Cl2NO5 494.415000 |
COYWEWWEQVRWQE-LMFLMHRHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM299725; PubChem:CID58573995
|
Local ready
Direct docking supported
|
|
E3L013371
BDB013371
|
BDBM301923
CC(C#N)(Cc1ccccc1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H22N2O 342.442000 |
UEGWFDZLXJTQDG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301923; PubChem:CID58487699
|
Local ready
Direct docking supported
|
|
E3L013372
BDB013372
|
BDBM301924
C[C@@](C#N)(Cc1ccccc1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H22N2O 342.442000 |
UEGWFDZLXJTQDG-QHCPKHFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301924; PubChem:CID58487720
|
Local ready
Direct docking supported
|
|
E3L013373
BDB013373
|
BDBM301926
C[C@](C#N)(Cc1ccccc1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H22N2O 342.442000 |
UEGWFDZLXJTQDG-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301926; PubChem:CID58487686
|
Local ready
Direct docking supported
|
|
E3L013374
BDB013374
|
BDBM301927
CC(C#N)(Cc1cccc(C#N)c1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C24H21N3O 367.452000 |
OMPYCYLPJBIPKG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301927; PubChem:CID44224150
|
Local ready
Direct docking supported
|
|
E3L013375
BDB013375
|
BDBM301928
CC(C#N)(Cc1cccc(F)c1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H21FN2O 360.432000 |
CQDSSYSRDXRGLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301928; PubChem:CID58487693
|
Local ready
Direct docking supported
|
|
E3L013376
BDB013376
|
BDBM301929
C[C@@](C#N)(Cc1cccc(F)c1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H21FN2O 360.432000 |
CQDSSYSRDXRGLW-QHCPKHFHSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301929; PubChem:CID58487712
|
Local ready
Direct docking supported
|
|
E3L013377
BDB013377
|
BDBM301930
C[C@](C#N)(Cc1cccc(F)c1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H21FN2O 360.432000 |
CQDSSYSRDXRGLW-HSZRJFAPSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301930; PubChem:CID44515031
|
Local ready
Direct docking supported
|
|
E3L013378
BDB013378
|
BDBM301931
COc1cc(OC)nc(CC(C)(C#N)c2ccc3c4c(c(=O)[nH]c3c2)CCCC4)n1
|
C23H24N4O3 404.470000 |
FITDTEZFVLDGBX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301931; PubChem:CID44514723
|
Local ready
Direct docking supported
|
|
E3L013379
BDB013379
|
BDBM301932
CC(C#N)(Cc1cccc(C#N)n1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H20N4O 368.440000 |
WVGLSASLDWFLFS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301932; PubChem:CID44515029
|
Local ready
Direct docking supported
|
|
E3L013380
BDB013380
|
BDBM301933
CC(C#N)(Cc1cccc(Cl)c1)c1ccc2c3c(c(=O)[nH]c2c1)CCCC3
|
C23H21ClN2O 376.887000 |
RMPXVEDDRZOQIA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM301933; PubChem:CID58487709
|
Local ready
Direct docking supported
|