| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001461
BDB001461
|
1,4-Benzodiazepine-2,5-dione antagonist, 18
C[C@@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(Cl)cc1
|
C28H25Cl2IN2O4 651.328000 |
VLOPNYYNACVDTC-QLXKLKPCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31333; PubChem:CID44176200
|
Local ready
Direct docking supported
|
|
E3L001462
BDB001462
|
1,4-Benzodiazepine-2,5-dione antagonist, 20
O=C(O)CCCCN1C(=O)[C@H](c2ccc(Cl)cc2)N([C@@H](c2ccc(Cl)cc2)C2CC2)C(=O)c2cc(I)ccc21
|
C30H27Cl2IN2O4 677.366000 |
LAGSUCCODRLQKW-IZLXSDGUSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31335; PubChem:CID44176201
|
Local ready
Direct docking supported
|
|
E3L001463
BDB001463
|
1,4-Benzodiazepine-2,5-dione antagonist, 21
C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(C(F)(F)F)cc1
|
C29H25ClF3IN2O4 684.880000 |
MZNOXHQFXHQCRQ-QUGAMOGWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31336; PubChem:CID11952816
|
Local ready
Direct docking supported
|
|
E3L001464
BDB001464
|
1,4-Benzodiazepine-2,5-dione antagonist, 22
C[C@H](c1ccc(Cl)cc1)N1C(=O)c2cc(I)ccc2N(CCCCC(=O)O)C(=O)[C@@H]1c1ccc(OC(F)(F)F)cc1
|
C29H25ClF3IN2O5 700.879000 |
WFRPBCOZTLVAQN-QUGAMOGWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31337; PubChem:CID11952817
|
Local ready
Direct docking supported
|
|
E3L001465
BDB001465
|
1,4-Benzodiazepine-2,5-dione antagonist, 23
C#Cc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O
|
C30H26Cl2N2O4 549.454000 |
WRGLVOHNHGTKTI-GDJIYFAZSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31338; PubChem:CID11706629
|
Local ready
Direct docking supported
|
|
E3L001466
BDB001466
|
1,4-Benzodiazepine-2,5-dione antagonist, 24
CC#Cc1ccc2c(c1)C(=O)N([C@H](C)c1ccc(Cl)cc1)[C@@H](c1ccc(Cl)cc1)C(=O)N2CCCCC(=O)O
|
C31H28Cl2N2O4 563.481000 |
POKSZIQBBZUBDJ-OLILMLBXSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31339; PubChem:CID11953254
|
Local ready
Direct docking supported
|
|
E3L001467
BDB001467
|
Cp-724714
COCC(=O)NC/C=C/c1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1
|
C27H27N5O3 469.545000 |
LLVZBTWPGQVVLW-SNAWJCMRSA-N | O14965, O95835 | Serine/threonine-protein kinase LATS1, Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31340; PubChem:CID9874913
|
Local ready
Direct docking supported
|
|
E3L001468
BDB001468
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 1
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C17H16N6O 320.356000 |
UTHWBIPHRYUJSU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31532; PubChem:CID44236351
|
Local ready
Direct docking supported
|
|
E3L001469
BDB001469
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 16
CNC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccccc3)nc1-2
|
C18H18N6O 334.383000 |
UOZGSFYRTXKQQR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31533; PubChem:CID44236353
|
Local ready
Direct docking supported
|
|
E3L001470
BDB001470
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 17
Cn1nc(C(=O)NC2CC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C20H20N6O 360.421000 |
DXZFQTAPRSQZBA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31534; PubChem:CID45269647
|
Local ready
Direct docking supported
|
|
E3L001471
BDB001471
|
BDBM31535
Cn1nc(C(=O)NCCO)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C19H20N6O2 364.409000 |
NXZVLIWBXMLTSL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31535; PubChem:CID44236354
|
Local ready
Direct docking supported
|
|
E3L001472
BDB001472
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 19
Cn1nc(C(=O)NC2CCCC2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C22H24N6O 388.475000 |
JBZSHFMYVGCDBI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31536; PubChem:CID44235884
|
Local ready
Direct docking supported
|
|
E3L001473
BDB001473
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 20
Cn1nc(C(=O)Nc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C23H20N6O 396.454000 |
VRZQAXBLQMWLAF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31537; PubChem:CID11486283
|
Local ready
Direct docking supported
|
|
E3L001474
BDB001474
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 21
Cn1nc(C(=O)NCc2ccccc2)c2c1-c1nc(Nc3ccccc3)ncc1CC2
|
C24H22N6O 410.481000 |
KPUBBCGAMBGWSV-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31538; PubChem:CID44232693
|
Local ready
Direct docking supported
|
|
E3L001475
BDB001475
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 22
CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)cc2)CC1
|
C22H26N8O 418.505000 |
CMMFUTDFYILBCW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31539; PubChem:CID44235885
|
Local ready
Direct docking supported
|
|
E3L001476
BDB001476
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 23
CNC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc1-2
|
C23H28N8O 432.532000 |
ZZHLJJZYXUQIBQ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31540; PubChem:CID44232694
|
Local ready
Direct docking supported
|
|
E3L001477
BDB001477
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 24
CN1CCN(c2cccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)CC4)c2)CC1
|
C22H26N8O 418.505000 |
KIBQAHRNVOBWRT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31541; PubChem:CID44235886
|
Local ready
Direct docking supported
|
|
E3L001478
BDB001478
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 25
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1CC2
|
C21H23N7O2 405.462000 |
BLILWBDSCDHCKK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31542; PubChem:CID44232695
|
Local ready
Direct docking supported
|
|
E3L001479
BDB001479
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 26
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3)ncc1CC2(C)C
|
C19H20N6O 348.410000 |
ZLUXKRIOOANRPI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31543; PubChem:CID44235887
|
Local ready
Direct docking supported
|
|
E3L001480
BDB001480
|
Pyrazolo[4,3-h]quinazoline-3-carboxamide, 27
CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)C(C)(C)C4)cc2)CC1
|
C24H30N8O 446.559000 |
YJAHDBYTVJLWQB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM31544; PubChem:CID44235888
|
Local ready
Direct docking supported
|