| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055941
BDB055941
|
1-amino-5H-benzo[c][1,8]naphthyridin-6-one
Nc1ccnc2[nH]c(=O)c3ccccc3c12
|
C12H9N3O 211.224000 |
CHZAQVIQFADGJA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433650; PubChem:CID68650098
|
Local ready
Direct docking supported
|
|
E3L055942
BDB055942
|
1-Chlorobenzo[C][1,8]naphthyridin-6(5H)-one
O=c1[nH]c2nccc(Cl)c2c2ccccc12
|
C12H7ClN2O 230.654000 |
CJXHWGOMJRWEGM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433651; PubChem:CID58168008
|
Local ready
Direct docking supported
|
|
E3L055943
BDB055943
|
BDBM50433652
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cccc(C(F)(F)F)c1F
|
C26H16F4N4O2 492.432000 |
WPASUZBJIGBQSX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433652; PubChem:CID58168169
|
Local ready
Direct docking supported
|
|
E3L055944
BDB055944
|
BDBM50433653
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1cc(F)cc(C(F)(F)F)c1
|
C26H16F4N4O2 492.432000 |
ZJWOUSIEGRLZGU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433653; PubChem:CID44207551
|
Local ready
Direct docking supported
|
|
E3L055945
BDB055945
|
BDBM50433654
O=C(Nc1ccc(Nc2ccnc3[nH]c(=O)c4ccccc4c23)cc1)c1ccc(C(F)(F)F)cc1F
|
C26H16F4N4O2 492.432000 |
ATLTVHRPWMFWKI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50433654; PubChem:CID44207552
|
Local ready
Direct docking supported
|
|
E3L055946
BDB055946
|
7-(2-Fluorophenyl)-4-Methylquinolin-2(1h)-One
Cc1cc(=O)[nH]c2cc(-c3ccccc3F)ccc12
|
C16H12FNO 253.276000 |
PPOQMSJVMJCEAI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50434127; PubChem:CID71576800
|
Local ready
Direct docking supported
|
|
E3L055947
BDB055947
|
BDBM50434155
CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4c(F)c(C#N)ccc43)CC2)[C@H]1c1ccccc1
|
C25H25FN4O3 448.498000 |
GTRSBOPVOQICBF-SPEDKVCISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50434155
|
Local ready
Direct docking supported
|
|
E3L055948
BDB055948
|
BDBM50434156
CC1(C)OC(=O)N([C@H]2CC[C@H](n3c(=O)[nH]c4cc(C#N)c(F)cc43)CC2)[C@H]1c1ccccc1
|
C25H25FN4O3 448.498000 |
KOIGSPGBVAOKRC-SPEDKVCISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50434156
|
Local ready
Direct docking supported
|
|
E3L055949
BDB055949
|
BDBM50434157
CC1(C)OC(=O)N(c2ccc(C(=O)Nc3cccc4cccnc34)cc2)[C@H]1c1ccccc1
|
C27H23N3O3 437.499000 |
LUYWAGVRXKSNLL-DEOSSOPVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50434157; PubChem:CID71464718
|
Local ready
Direct docking supported
|
|
E3L055950
BDB055950
|
BDBM50434158
CC1(C)OC(=O)N([C@H]2CC[C@H](NC(=O)c3ccnc4cc(F)cnc34)CC2)[C@H]1c1ccccc1
|
C26H27FN4O3 462.525000 |
NKPDQKILCAOJCZ-YDHSSHFGSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50434158
|
Local ready
Direct docking supported
|
|
E3L055951
BDB055951
|
BDBM50434280
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCNC(=O)C1
|
C34H38Cl2N4O3 621.609000 |
ZZRODNWWALHZAJ-SZAHLOSFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434280; PubChem:CID71655426
|
Local ready
Direct docking supported
|
|
E3L055952
BDB055952
|
BDBM50434281
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1
|
C37H46Cl2N4O4S 713.772000 |
HJAIBUOZTNJPKT-GOJCVTOHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434281; PubChem:CID58894294
|
Local ready
Direct docking supported
|
|
E3L055953
BDB055953
|
BDBM50434282
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](CC)(c2ccc(Cl)cc2)[C@@](CC)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1
|
C40H52Cl2N4O4S 755.853000 |
JSZMEICPYDYNJQ-IOLBBIBUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434282; PubChem:CID59595061
|
Local ready
Direct docking supported
|
|
E3L055954
BDB055954
|
BDBM50434283
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCOCC2)CC1
|
C40H49Cl2N5O4 734.769000 |
DJZBZZRLUQDRII-IOLBBIBUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50434283
|
Local ready
Direct docking supported
|
|
E3L055955
BDB055955
|
BDBM50434284
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)N2CCCC2)CC1
|
C40H49Cl2N5O3 718.770000 |
DVHSHICVMASNND-IOLBBIBUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50434284
|
Local ready
Direct docking supported
|
|
E3L055956
BDB055956
|
BDBM50434285
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNC(C)=O)CC1
|
C38H47Cl2N5O3 692.732000 |
WOJXNSCIVSUSTO-QPPIDDCLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434285; PubChem:CID17754844
|
Local ready
Direct docking supported
|
|
E3L055957
BDB055957
|
BDBM50434286
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNS(C)(=O)=O)CC1
|
C37H47Cl2N5O4S 728.787000 |
RLVHIMZOZMLGIX-PQQNNWGCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50434286
|
Local ready
Direct docking supported
|
|
E3L055958
BDB055958
|
BDBM50434288
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCO)CC1
|
C36H44Cl2N4O3 651.679000 |
QEHAAELBCKBEBS-MPQUPPDSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434288; PubChem:CID17754846
|
Local ready
Direct docking supported
|
|
E3L055959
BDB055959
|
BDBM50434289
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCC(F)(F)F)CC1
|
C37H43Cl2F3N4O2 703.677000 |
MVGHTOGJZPPSRC-MPQUPPDSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434289; PubChem:CID17754801
|
Local ready
Direct docking supported
|
|
E3L055960
BDB055960
|
BDBM50434290
CCOc1cc(C(C)(C)C)ccc1C1=N[C@@](C)(c2ccc(Cl)cc2)[C@@](C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(C(C)=O)CC1
|
C36H42Cl2N4O3 649.663000 |
OHBOYVVVTREVDA-MPQUPPDSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50434290; PubChem:CID17754588
|
Local ready
Direct docking supported
|