| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049301
BDB049301
|
BDBM50236548
O=C(Nc1cccc(O)c1)c1c[nH]c2ncc(-c3ccc(O)cc3)cc12
|
C20H15N3O3 345.358000 |
CMLCCTPKLYKIJA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50236548; PubChem:CID137658722
|
Local ready
Direct docking supported
|
|
E3L049302
BDB049302
|
BDBM50236549
O=C(Nc1ccc(O)cc1)c1c[nH]c2ncc(-c3ccc(O)cc3)cc12
|
C20H15N3O3 345.358000 |
BUEJIFZTPCLPMU-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50236549; PubChem:CID137638175
|
Local ready
Direct docking supported
|
|
E3L049303
BDB049303
|
BDBM50236550
O=C(Nc1cccc(O)c1)c1cnc2[nH]cc(-c3ccc(O)cc3)c2c1
|
C20H15N3O3 345.358000 |
DPSFKKBIIZTWDA-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50236550; PubChem:CID137657812
|
Local ready
Direct docking supported
|
|
E3L049304
BDB049304
|
BDBM50236551
Nc1ccc(-c2c[nH]c3ncc(-c4ccc(O)cc4)cc23)cc1
|
C19H15N3O 301.349000 |
FKVVLDSZZBRLMW-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50236551; PubChem:CID137654671
|
Local ready
Direct docking supported
|
|
E3L049305
BDB049305
|
BDBM50236689
CCO[C@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cccc3C)c2)s1
|
C24H26O4S 410.535000 |
SSFZJQHTYBHEMR-HXUWFJFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50236689; PubChem:CID137653903
|
Local ready
Direct docking supported
|
|
E3L049306
BDB049306
|
BDBM50236692
CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(-c3c(C)cc(OCCCS(C)(=O)=O)cc3C)c2)s1
|
C29H32O6S2 540.703000 |
UVWVLVQOGNGGEO-QHCPKHFHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50236692; PubChem:CID137634330
|
Local ready
Direct docking supported
|
|
E3L049307
BDB049307
|
BDBM50236827
COc1cc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)ccc1C(=O)O
|
C31H28Cl2FN3O5 612.485000 |
ROQSYGDIFAJFAC-UZXRVZLOSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50236827
|
Local ready
Direct docking supported
|
|
E3L049308
BDB049308
|
BDBM50236856
COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC
|
C25H22N2O4 414.461000 |
ZATGFXTWDKIEKC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50236856; PubChem:CID11441375
|
Local ready
Direct docking supported
|
|
E3L049309
BDB049309
|
BDBM50236970
O=C(O)Cc1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1
|
C31H28Cl2FN3O4 596.486000 |
KEDAFUYHQHKNJJ-ZRLKGHKBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50236970
|
Local ready
Direct docking supported
|
|
E3L049310
BDB049310
|
BDBM50237220
CN1[C@@H](c2nc(C(N)=O)cs2)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2
|
C27H25Cl2FN4O2S 559.494000 |
NTAXNQMOZQYSPY-ZVUIFXONSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237220
|
Local ready
Direct docking supported
|
|
E3L049311
BDB049311
|
Nilotinib
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cccnc5)n4)c3)cc(C(F)(F)F)c2)cn1
|
C28H22F3N7O 529.526000 |
HHZIURLSWUIHRB-UHFFFAOYSA-N | O14965, O95835, P51617, Q13233, Q92630 | Mitogen-activated protein kinase kinase kinase 1, Dual specificity tyrosine-phosphorylation-regulated kinase 2, Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50237710; PubChem:CID644241
|
Local ready
Direct docking supported
|
|
E3L049312
BDB049312
|
BDBM50237733
O=C(N[C@H]1CC[C@H](O)CC1)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)sc32)[C@H]1c1cccc(Cl)c1F
|
C27H30Cl2FN3O3S 566.526000 |
NGNOTVJJIQQRHB-SFJYDWMBSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237733
|
Local ready
Direct docking supported
|
|
E3L049313
BDB049313
|
BDBM50237734
CS(=O)(=O)NC(=O)C12CCC(NC(=O)[C@@H]3NC4(CCCCC4)[C@@]4(C(=O)Nc5cc(Cl)ccc54)[C@H]3c3cccc(Cl)c3F)(CC1)CC2
|
C33H37Cl2FN4O5S 691.653000 |
QFJUSFSAYXYFDM-IBJHQLCKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237734
|
Local ready
Direct docking supported
|
|
E3L049314
BDB049314
|
BDBM50237735
CC1(C)CC2(C1)N[C@@H](C(=O)N[C@H]1CC[C@H](O)CC1)[C@H](c1cccc(Cl)c1F)[C@]21C(=O)Nc2cc(Cl)ccc21
|
C29H32Cl2FN3O3 560.497000 |
HYSSPAFSTUTPOZ-YZTQTMAWSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237735
|
Local ready
Direct docking supported
|
|
E3L049315
BDB049315
|
BDBM50237736
O=C(O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)o1
|
C28H24Cl2FN3O5 572.420000 |
GSUNXGUAGUHCBD-TWLCBMPQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237736
|
Local ready
Direct docking supported
|
|
E3L049316
BDB049316
|
BDBM50237737
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2NC3(CCCCC3)[C@@]3(C(=O)Nc4cc(Cl)ccc43)[C@H]2c2cccc(Cl)c2F)cc1
|
C29H27Cl2FN4O4S 617.530000 |
IBJSBVHUFOBFRG-ZLZBJJAKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237737
|
Local ready
Direct docking supported
|
|
E3L049317
BDB049317
|
BDBM50237738
CN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2
|
C33H36Cl2FN3O4 628.572000 |
SHYFEBUYIACRQU-IBJHQLCKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237738
|
Local ready
Direct docking supported
|
|
E3L049318
BDB049318
|
Alrizomadlin
CCN1[C@@H](C(=O)NC23CCC(C(=O)O)(CC2)CC3)[C@H](c2cccc(Cl)c2F)[C@]2(C(=O)Nc3cc(Cl)ccc32)C12CCCCC2
|
C34H38Cl2FN3O4 642.599000 |
YJCZPJQGFSSFOL-MNZPCBJKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50237739; PubChem:CID91972012
|
Local ready
Direct docking supported
|
|
E3L049319
BDB049319
|
BDBM50237740
Cc1nnc([C@H]2[C@H](c3cccc(Cl)c3F)[C@]3(C(=O)Nc4cc(Cl)ccc43)C3(CCCCC3)N2C)o1
|
C26H25Cl2FN4O2 515.416000 |
SVOTZYXGQXSWIL-UNIVCBNLSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB
BindingDB:BDBM50237740
|
Local ready
Direct docking supported
|
|
E3L049320
BDB049320
|
Mdm2-IN-26
O=C(NC12CCC(C(=O)O)(CC1)CC2)[C@@H]1NC2(CCC(F)(F)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
|
C32H32Cl2F3N3O4 650.525000 |
JVNBTUBJQULATA-MPRRLMHKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50237741; PubChem:CID118458376
|
Local ready
Direct docking supported
|