| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044981
BDB044981
|
BDBM50053220
CC(C)(C)[C@@H](CS(=O)(=O)N1CCC(F)(F)C1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C30H36Cl2F2N2O5S 645.596000 |
BOBIFKIKBCVKCZ-HIJQLYNKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053220
|
Local ready
Direct docking supported
|
|
E3L044982
BDB044982
|
BDBM50053221
C[C@@H]1CCCN1S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C
|
C31H40Cl2N2O5S 623.643000 |
SUDNWKDIBLEIHM-JGIFQQKMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053221
|
Local ready
Direct docking supported
|
|
E3L044983
BDB044983
|
BDBM50053222
C[C@H]1CCCN1S(=O)(=O)C[C@@H](N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(C)(C)C
|
C31H40Cl2N2O5S 623.643000 |
SUDNWKDIBLEIHM-IMRYPDIUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053222
|
Local ready
Direct docking supported
|
|
E3L044984
BDB044984
|
BDBM50053223
CN1CCN(S(=O)(=O)C[C@@H](N2C(=O)[C@@](C)(CC(=O)O)C[C@H](c3cccc(Cl)c3)[C@H]2c2ccc(Cl)cc2)C(C)(C)C)CC1
|
C31H41Cl2N3O5S 638.658000 |
OUIXNKJJQLNOMA-IAHIMPAPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053223; PubChem:CID118709139
|
Local ready
Direct docking supported
|
|
E3L044985
BDB044985
|
BDBM50053224
CC(C)(C)[C@@H](CS(=O)(=O)N1CCNCC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C30H39Cl2N3O5S 624.631000 |
QUQKHGXYJOXLHC-QNYAKKFESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053224; PubChem:CID118709140
|
Local ready
Direct docking supported
|
|
E3L044986
BDB044986
|
BDBM50053225
CC(C)(C)[C@@H](CS(=O)(=O)N1CCS(=O)(=O)CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C30H38Cl2N2O7S2 673.681000 |
HJZHRQQVQYCWOF-QNYAKKFESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053225
|
Local ready
Direct docking supported
|
|
E3L044987
BDB044987
|
BDBM50053226
CC(C)(C)[C@@H](CS(=O)(=O)N1CCC(F)(F)CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C31H38Cl2F2N2O5S 659.623000 |
WVXWMSSQVOCDSP-QNYAKKFESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053226
|
Local ready
Direct docking supported
|
|
E3L044988
BDB044988
|
BDBM50053227
CC(C)(C)[C@@H](CS(=O)(=O)N1CCc2ccccc21)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C34H38Cl2N2O5S 657.660000 |
AGWDYKXVWBCGDU-HSRPRZCRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50053227; PubChem:CID118709143
|
Local ready
Direct docking supported
|
|
E3L044989
BDB044989
|
BDBM50053228
CC1(C)CN(S(=O)(=O)C[C@@H](N2C(=O)[C@@](C)(CC(=O)O)C[C@H](c3cccc(Cl)c3)[C@H]2c2ccc(Cl)cc2)C(C)(C)C)c2ccccc21
|
C36H42Cl2N2O5S 685.714000 |
NDQXOCTZQJAXLF-PJJBFEFNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053228
|
Local ready
Direct docking supported
|
|
E3L044990
BDB044990
|
BDBM50053229
CC(C)(C)[C@@H](CS(=O)(=O)N1CCc2cc(F)ccc21)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1
|
C34H37Cl2FN2O5S 675.650000 |
DAQIXVBEINQCNJ-HSRPRZCRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50053229
|
Local ready
Direct docking supported
|
|
E3L044991
BDB044991
|
BDBM50053231
O=c1[nH]c2ccsc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
|
C19H19N5OS 365.462000 |
MRBNLCLXWRXFJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053231; PubChem:CID136087130
|
Local ready
Direct docking supported
|
|
E3L044992
BDB044992
|
BDBM50053234
COc1ccc2[nH]c(-c3c(NC4CN5CCC4CC5)c4cc(Cl)sc4[nH]c3=O)nc2c1
|
C22H22ClN5O2S 455.971000 |
PPDVXGPIYKGZHM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053234; PubChem:CID136087133
|
Local ready
Direct docking supported
|
|
E3L044993
BDB044993
|
BDBM50053235
COc1ccc2[nH]c(-c3c(N[C@H]4CCCNC4)c4cc(Cl)sc4[nH]c3=O)nc2c1
|
C20H20ClN5O2S 429.933000 |
NTXWXFSAJRMWNA-JTQLQIEISA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053235; PubChem:CID136087134
|
Local ready
Direct docking supported
|
|
E3L044994
BDB044994
|
BDBM50053238
O=c1[nH]c2sc(Br)cc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
|
C19H18BrN5OS 444.358000 |
MQFYZWYYZGTHAN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053238; PubChem:CID136087136
|
Local ready
Direct docking supported
|
|
E3L044995
BDB044995
|
BDBM50053239
O=c1[nH]c2sc(Cl)cc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1
|
C21H20ClN5OS 425.945000 |
WEPIAXIAUHNMJX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053239; PubChem:CID136087137
|
Local ready
Direct docking supported
|
|
E3L044996
BDB044996
|
BDBM50053243
O=c1[nH]c2sc(Cl)cc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
|
C19H18ClN5OS 399.907000 |
JCHWETQOLSPUBV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053243; PubChem:CID136087140
|
Local ready
Direct docking supported
|
|
E3L044997
BDB044997
|
BDBM50053256
O=c1[nH]c2sccc2c(NC2CN3CCC2CC3)c1-c1nc2ccccc2[nH]1
|
C21H21N5OS 391.500000 |
LWSORTKUYSYDMP-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053256; PubChem:CID136087152
|
Local ready
Direct docking supported
|
|
E3L044998
BDB044998
|
BDBM50053259
O=c1[nH]c2sccc2c(N[C@H]2CCCNC2)c1-c1nc2ccccc2[nH]1
|
C19H19N5OS 365.462000 |
ORNADCNXUPZOQN-NSHDSACASA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053259; PubChem:CID136087155
|
Local ready
Direct docking supported
|
|
E3L044999
BDB044999
|
BDBM50053260
O=c1[nH]c2sccc2c(NC2CCCNC2)c1-c1nc2ccccc2[nH]1
|
C19H19N5OS 365.462000 |
ORNADCNXUPZOQN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053260; PubChem:CID136087156
|
Local ready
Direct docking supported
|
|
E3L045000
BDB045000
|
BDBM50053261
COc1cc(OC)cc(-c2cn(-c3ccc(O)c(C(=O)Nc4cccc(Cl)c4)c3)nn2)c1
|
C23H19ClN4O4 450.882000 |
STDVZMOMUVKWBR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50053261; PubChem:CID118710415
|
Local ready
Direct docking supported
|