| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008521
BDB008521
|
BDBM209957
O=C(O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C18H13F3N4O2 374.322000 |
KPYDJHQQYLJTFB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209957; PubChem:CID124081221
|
Local ready
Direct docking supported
|
|
E3L008522
BDB008522
|
BDBM209958
NCCCCc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C21H22F3N5 401.436000 |
LYYYVNCASSZLFJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209958; PubChem:CID124081222
|
Local ready
Direct docking supported
|
|
E3L008523
BDB008523
|
BDBM209959
NC(=O)CCc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C20H18F3N5O 401.392000 |
JJYYXWPJWASXGL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209959; PubChem:CID124081223
|
Local ready
Direct docking supported
|
|
E3L008524
BDB008524
|
BDBM209960
NC(=O)C1CC1c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C21H18F3N5O 413.403000 |
KUYJVLRNBSCRQU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209960; PubChem:CID124081224
|
Local ready
Direct docking supported
|
|
E3L008525
BDB008525
|
BDBM209961
FC(F)(F)c1cccc(Nc2ccnc(Nc3ccccc3)n2)c1
|
C17H13F3N4 330.313000 |
JSIPMFNPSRHGKA-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209961; PubChem:CID71472548
|
Local ready
Direct docking supported
|
|
E3L008526
BDB008526
|
BDBM209962
NC(=O)CCCCc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C22H22F3N5O 429.446000 |
NPTRODVWHGMFRC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209962; PubChem:CID124081225
|
Local ready
Direct docking supported
|
|
E3L008527
BDB008527
|
BDBM209963
NC(O)C1CCC(c2cccc(Nc3nccc(Nc4cccc(C(F)(F)F)c4)n3)c2)C1
|
C23H24F3N5O 443.473000 |
PWACBZDYPNSVHR-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209963; PubChem:CID124081226
|
Local ready
Direct docking supported
|
|
E3L008528
BDB008528
|
BDBM209964
CC(CC(N)=O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C21H20F3N5O 415.419000 |
ZAAJXLLUBZAIBM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209964; PubChem:CID124081227
|
Local ready
Direct docking supported
|
|
E3L008529
BDB008529
|
BDBM209965
O=C(Nc1ccc(Cl)cc1)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C24H17ClF3N5O 483.881000 |
KRSQWOCPRRSARO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209965; PubChem:CID124081228
|
Local ready
Direct docking supported
|
|
E3L008530
BDB008530
|
BDBM209966
O=C(Nc1ccccc1)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1
|
C24H18F3N5O 449.436000 |
RCGHBTPLNQKMGO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209966; PubChem:CID124081229
|
Local ready
Direct docking supported
|
|
E3L008531
BDB008531
|
BDBM209967
CN(C)c1cc(Nc2ccccc2)nc(Nc2ccccc2)n1
|
C18H19N5 305.385000 |
ULGGLUFGPKJKNL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209967; PubChem:CID69896664
|
Local ready
Direct docking supported
|
|
E3L008532
BDB008532
|
BDBM209968
CN(C)c1cc(Nc2ccccc2C(=O)O)nc(Nc2ccccc2)n1
|
C19H19N5O2 349.394000 |
DHDVEHJALGZIFE-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209968; PubChem:CID71472625
|
Local ready
Direct docking supported
|
|
E3L008533
BDB008533
|
BDBM209969
CCOC(=O)c1ccc(Nc2ncc(N)c(Nc3ccccc3C(=O)O)n2)cc1
|
C20H19N5O4 393.403000 |
AUUZTNDIZZYRHI-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM209969; PubChem:CID71472626
|
Local ready
Direct docking supported
|
|
E3L008534
BDB008534
|
BDBM210183
CC(C)c1ccc(OC(F)(F)F)c(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)c(F)c2)c1
|
C30H28F7N5O3 639.572000 |
VDXPCMABCGDGDB-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210183; PubChem:CID77847203
|
Local ready
Direct docking supported
|
|
E3L008535
BDB008535
|
BDBM210184
CC(C)c1cc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)ccn1
|
C28H29F3N6O2 538.574000 |
PFBSRHSQHQIPJD-MRXNPFEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210184; PubChem:CID90325141
|
Local ready
Direct docking supported
|
|
E3L008536
BDB008536
|
BDBM210185
C=C(C)c1cc(C)nc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)cc2)c1
|
C29H29F3N6O2 550.585000 |
CRYUZCWREBJMNG-QGZVFWFLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210185; PubChem:CID90324909
|
Local ready
Direct docking supported
|
|
E3L008537
BDB008537
|
BDBM210186
CC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(Cl)c(F)c2)c1
|
C27H28ClFN6O2 523.012000 |
YBHIMQSTSIMNJP-OAHLLOKOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210186; PubChem:CID77847204
|
Local ready
Direct docking supported
|
|
E3L008538
BDB008538
|
BDBM210187
CC(C)c1ccnc(-c2nc3nc(C(=O)O)nc(N[C@H](C)C4CCC4)c3n2Cc2ccc(C(F)(F)F)s2)c1
|
C26H27F3N6O2S 544.603000 |
QQFUNIRANSHQLC-CQSZACIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210187; PubChem:CID77847205
|
Local ready
Direct docking supported
|
|
E3L008539
BDB008539
|
BDBM210323
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(C(O)c4ccccc4)ccn3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C32H29F3N6O3 602.617000 |
PWRLSRSPMODOFC-QOBPCVTDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210323; PubChem:CID77847285
|
Local ready
Direct docking supported
|
|
E3L008540
BDB008540
|
BDBM210327
C[C@@H](Nc1nc(C(=O)O)nc2nc(-c3cc(Cc4ccccc4)ccn3)n(Cc3ccc(C(F)(F)F)cc3)c12)C1CCC1
|
C32H29F3N6O2 586.618000 |
NAFCPWWEWXNBRA-LJQANCHMSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM210327; PubChem:CID77847286
|
Local ready
Direct docking supported
|