| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L016661
BDB016661
|
US10246467, Example I-112
Cc1cc2nn3c(c2cc1C(=O)O)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C31H25Cl2FN4O4 607.469000 |
MEPNXWGZCBHNAI-NCRFVDKVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374792; PubChem:CID130376496
|
Local ready
Direct docking supported
|
|
E3L016662
BDB016662
|
US10246467, Example I-114
O=C(O)c1cnc2nn3c(c2c1)OC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C29H22Cl2FN5O4 594.430000 |
LKMZFXUNRYEKGW-MIMQBZNGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374793; PubChem:CID130376497
|
Local ready
Direct docking supported
|
|
E3L016663
BDB016663
|
US10246467, Example I-116
O=C(O)c1cnc2nn3c(c2c1)OC[C@@H]1[C@H]3[C@@H](c2cccc(Cl)c2F)[C@@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C29H22Cl2FN5O4 594.430000 |
LKMZFXUNRYEKGW-DWDWSSDJSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374795; PubChem:CID130376499
|
Local ready
Direct docking supported
|
|
E3L016664
BDB016664
|
US10246467, Example I-117
Cc1cc2nn3c(c2cc1C(=O)O)OCC[C@H]1[C@@H]3[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)N1CC1CC1
|
C32H27Cl2FN4O4 621.496000 |
CFSDXIRRNDSJFD-CKHSQSCFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM374796; PubChem:CID130376498
|
Local ready
Direct docking supported
|
|
E3L016665
BDB016665
|
US9907800, Example A6
COc1ccc2c(c1)C1(CC1c1ccc3c(I)n[nH]c3c1)C(=O)N2
|
C18H14IN3O2 431.233000 |
ASLOEJIVGTXGIM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375282; PubChem:CID58486375
|
Local ready
Direct docking supported
|
|
E3L016666
BDB016666
|
Plk4-IN-1
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(I)n[nH]c3c1)C(=O)N2
|
C18H14IN3O2 431.233000 |
ASLOEJIVGTXGIM-UGSOOPFHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375283; PubChem:CID53475756
|
Local ready
Direct docking supported
|
|
E3L016667
BDB016667
|
BDBM375285
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(I)n[nH]c2c1
|
C17H12IN3O 401.207000 |
YEZQDIPIXKWLNY-TYJDENFWSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375285; PubChem:CID89965964
|
Local ready
Direct docking supported
|
|
E3L016668
BDB016668
|
BDBM375286
O=C1Nc2ccccc2[C@]12C[C@H]2c1ccc2c(I)n[nH]c2c1
|
C17H12IN3O 401.207000 |
YEZQDIPIXKWLNY-SJCJKPOMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375286; PubChem:CID53475758
|
Local ready
Direct docking supported
|
|
E3L016669
BDB016669
|
BDBM375287
O=C1Nc2ccccc2[C@@]12C[C@@H]2c1ccc2c(I)n[nH]c2c1
|
C17H12IN3O 401.207000 |
YEZQDIPIXKWLNY-SJKOYZFVSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375287; PubChem:CID58486273
|
Local ready
Direct docking supported
|
|
E3L016670
BDB016670
|
BDBM375290
COc1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C28H28N6O2 480.572000 |
JAHZZERYOWPURL-SKCUWOTOSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375290; PubChem:CID58486335
|
Local ready
Direct docking supported
|
|
E3L016671
BDB016671
|
BDBM375291
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)nc4)n[nH]c3c1)C(=O)N2
|
C28H28N6O2 480.572000 |
JAHZZERYOWPURL-DWACAAAGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375291; PubChem:CID58486157
|
Local ready
Direct docking supported
|
|
E3L016672
BDB016672
|
BDBM375293
CN1CCN(c2ccc(-c3n[nH]c4cc(C5C[C@@]56C(=O)Nc5ccccc56)ccc34)cn2)CC1
|
C27H26N6O 450.546000 |
IKVNNBYIDXRNMG-YQAGWJQESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375293; PubChem:CID67979028
|
Local ready
Direct docking supported
|
|
E3L016673
BDB016673
|
BDBM375297
O=C1Nc2ccccc2[C@]12CC2c1ccc2c(/C=C/c3ccncc3)n[nH]c2c1
|
C24H18N4O 378.435000 |
BUMGKNPRCXMAGM-OCGXFMLJSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375297; PubChem:CID67978687
|
Local ready
Direct docking supported
|
|
E3L016674
BDB016674
|
BDBM375298
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc(C4C[C@@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C28H26N4O 434.543000 |
NZBZBQUHFXSFOR-JMCDQUADSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375298; PubChem:CID67978688
|
Local ready
Direct docking supported
|
|
E3L016675
BDB016675
|
BDBM375302
CN(C)Cc1ccc(/C=C/c2n[nH]c3cc([C@H]4C[C@]45C(=O)Nc4ccccc45)ccc23)cc1
|
C28H26N4O 434.543000 |
NZBZBQUHFXSFOR-REZBJRCTSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375302; PubChem:CID58486388
|
Local ready
Direct docking supported
|
|
E3L016676
BDB016676
|
BDBM375309
O=C1Nc2ccccc2[C@@]12C[C@@H]2c1ccc2c(/C=C/c3cccnc3)n[nH]c2c1
|
C24H18N4O 378.435000 |
SXAOLYUXAFWLCI-ZVUVTMFDSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375309; PubChem:CID58486239
|
Local ready
Direct docking supported
|
|
E3L016677
BDB016677
|
BDBM375316
COc1ccc2c(c1)[C@@]1(C[C@@H]1c1ccc3c(/C=C/c4ccc(CN(C)C)cc4)n[nH]c3c1)C(=O)N2
|
C29H28N4O2 464.569000 |
DKVKUPRCFKTRIY-FPYVMUKESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375316; PubChem:CID58486174
|
Local ready
Direct docking supported
|
|
E3L016678
BDB016678
|
BDBM375318
COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCN(C)CC5)cc4)n[nH]c3c1)C(=O)N2
|
C29H29N5O2 479.584000 |
ZSMPGSBOZTVRAJ-OUTSHDOLSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375318; PubChem:CID58486186
|
Local ready
Direct docking supported
|
|
E3L016679
BDB016679
|
BDBM375324
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4cccc(CN5CCCCC5)c4)n[nH]c3c1)C(=O)N2
|
C30H30N4O2 478.596000 |
SRDRFMCHJBWAOC-QNGSWNHHSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375324; PubChem:CID58486341
|
Local ready
Direct docking supported
|
|
E3L016680
BDB016680
|
BDBM375325
COc1ccc2c(c1)[C@]1(CC1c1ccc3c(-c4ccc(CO)cc4)n[nH]c3c1)C(=O)N2
|
C25H21N3O3 411.461000 |
CTVWPZCQBVLKKN-KUXBLMNESA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM375325; PubChem:CID58486227
|
Local ready
Direct docking supported
|