| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L054941
BDB054941
|
Cobimetinib
O=C(c1ccc(F)c(F)c1Nc1ccc(I)cc1F)N1CC(O)([C@@H]2CCCCN2)C1
|
C21H21F3IN3O2 531.316000 |
BSMCAPRUBJMWDF-KRWDZBQOSA-N | O14965, P51617, Q92630 | Interleukin-1 receptor-associated kinase 1, Aurora kinase A, Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50391802; PubChem:CID16222096
|
Local ready
Direct docking supported
|
|
E3L054942
BDB054942
|
BDBM50391895
NCCNc1nc(-c2ccncc2)nc2cnccc12
|
C14H14N6 266.308000 |
JHLONFVVTLRHIZ-UHFFFAOYSA-N | O95835 | Serine/threonine-protein kinase LATS1 |
BindingDB, PubChem
BindingDB:BDBM50391895; PubChem:CID71452928
|
Local ready
Direct docking supported
|
|
E3L054943
BDB054943
|
BDBM50392240
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
|
C72H106N18O18 1511.748000 |
ALOCKGIGFHCPRC-PIJZXYEFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392240; PubChem:CID71449500
|
Local ready
Direct docking supported
|
|
E3L054944
BDB054944
|
BDBM50392241
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
|
C72H105FN18O18 1529.738000 |
GYJHSDCYPOKOAA-RPKCDFNFSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392241; PubChem:CID71449501
|
Local ready
Direct docking supported
|
|
E3L054945
BDB054945
|
BDBM50392242
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
|
C73H105F3N18O18 1579.745000 |
HCQJUIWZWMGJRQ-VJNMKLQESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392242; PubChem:CID71453126
|
Local ready
Direct docking supported
|
|
E3L054946
BDB054946
|
BDBM50392243
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)[C@@H](C)NC(=O)[C@H](N)[C@@H](C)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
|
C73H104F4N18O18 1597.735000 |
IKFSHEISEVJQHA-RMRRZSPQSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392243; PubChem:CID71449509
|
Local ready
Direct docking supported
|
|
E3L054947
BDB054947
|
BDBM50392244
CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)O
|
C75H105N17O17 1516.767000 |
ZEUMBESJMNEXFU-BXCAZVQPSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392244; PubChem:CID71460334
|
Local ready
Direct docking supported
|
|
E3L054948
BDB054948
|
Nutlin-2
CCOc1cc(OC)ccc1C1=N[C@@H](c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)N1C(=O)N1CCN(CCO)CC1
|
C31H34Br2N4O4 686.445000 |
PVRYEWOXWGDQHA-URLMMPGGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392531; PubChem:CID5288631
|
Local ready
Direct docking supported
|
|
E3L054949
BDB054949
|
BDBM50392533
CC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C23H20Cl2N4O2S 487.412000 |
CXTFXWCECRLKQA-VQTJNVASSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392533; PubChem:CID71456576
|
Local ready
Direct docking supported
|
|
E3L054950
BDB054950
|
BDBM50392534
CCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C24H22Cl2N4O2S 501.439000 |
UPEPITCUKHSMLK-LEWJYISDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392534; PubChem:CID71453053
|
Local ready
Direct docking supported
|
|
E3L054951
BDB054951
|
BDBM50392535
CC(C)C1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C25H24Cl2N4O2S 515.466000 |
LNDPUCKALGGUTH-RBBKRZOGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392535; PubChem:CID58007477
|
Local ready
Direct docking supported
|
|
E3L054952
BDB054952
|
BDBM50392536
CCCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C25H24Cl2N4O2S 515.466000 |
SOGIBWNBMKLYDX-FCHUYYIVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392536; PubChem:CID71458425
|
Local ready
Direct docking supported
|
|
E3L054953
BDB054953
|
BDBM50392537
O=C1CN(C(=O)C2=C(C3CC3)N3C(=N[C@@H](c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)CCN1
|
C25H22Cl2N4O2S 513.450000 |
FIQHNKDEQBWNIL-LEWJYISDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392537; PubChem:CID68807602
|
Local ready
Direct docking supported
|
|
E3L054954
BDB054954
|
BDBM50392538
CC(C)(C)C1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C26H26Cl2N4O2S 529.493000 |
QRIYLDXMUXWZGG-LEWJYISDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392538; PubChem:CID68805209
|
Local ready
Direct docking supported
|
|
E3L054955
BDB054955
|
BDBM50392539
COCC1=C(C(=O)N2CCNC(=O)C2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C24H22Cl2N4O3S 517.438000 |
NCGOJPLUPHBCID-LEWJYISDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392539; PubChem:CID68954893
|
Local ready
Direct docking supported
|
|
E3L054956
BDB054956
|
BDBM50392540
CC(=O)N1CCN(C(=O)C2=C(C(C)C)N3C(=N[C@@H](c4ccc(Cl)cc4)[C@H]3c3ccc(Cl)cc3)S2)CC1
|
C27H28Cl2N4O2S 543.520000 |
BGUKZJSLKDRKJE-LADGPHEKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392540; PubChem:CID71458426
|
Local ready
Direct docking supported
|
|
E3L054957
BDB054957
|
BDBM50392541
CC(C)C1=C(C(=O)N2CCC(C(=O)N(C)C)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C29H32Cl2N4O2S 571.574000 |
WELOHIZGIXAUPL-UKILVPOCSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392541; PubChem:CID71449443
|
Local ready
Direct docking supported
|
|
E3L054958
BDB054958
|
BDBM50392542
CC(C)C1=C(C(=O)N2CCOCC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C25H25Cl2N3O2S 502.467000 |
DYBQZQOKMHMOEG-RBBKRZOGSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392542; PubChem:CID24968163
|
Local ready
Direct docking supported
|
|
E3L054959
BDB054959
|
BDBM50392543
CC(C)C1=C(C(=O)N2CCNC(=O)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C26H26Cl2N4O2S 529.493000 |
VGAAMXDVLNPTSK-JTHBVZDNSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392543; PubChem:CID68806861
|
Local ready
Direct docking supported
|
|
E3L054960
BDB054960
|
BDBM50392544
CC(C)C1=C(C(=O)N2CCN(CCO)CC2)SC2=N[C@@H](c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21
|
C27H30Cl2N4O2S 545.536000 |
CGIRGTGKVJBXLP-LADGPHEKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50392544; PubChem:CID44608507
|
Local ready
Direct docking supported
|