| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029341
BDB029341
|
BDBM585841
C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc([C@]4(Cc5nncn5C)C[C@@H](C#N)C4)c3)nc(C3CC3)c2)CCO1
|
C30H35N7O2 525.657000 |
JJEJNRCYHIGPAQ-KGYPQYPISA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM585841
|
Local ready
Direct docking supported
|
|
E3L029342
BDB029342
|
BDBM585842
C[C@@H]1CN(Cc2cc(C(=O)Nc3cccc([C@]4(Cc5nncn5C)C[C@@H](C#N)C4)c3)nc(C3CC3)n2)CCC1(F)F
|
C30H34F2N8O 560.653000 |
UDNQDVZMHAVWHC-NIAOJTHTSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM585842
|
Local ready
Direct docking supported
|
|
E3L029343
BDB029343
|
BDBM585843
C[C@@H]1CN(C(C)(C)c2cc3c(c(C(F)(F)F)c2)CN(c2cccc([C@]4(Cc5nncn5C)C[C@@H](C#N)C4)c2)C3=O)CCO1
|
C32H35F3N6O2 592.666000 |
VIUMRIZXFGPTLL-PAZSBGSYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB
BindingDB:BDBM585843
|
Local ready
Direct docking supported
|
|
E3L029344
BDB029344
|
BDBM585844
Cc1cc(C(=O)Nc2cccc(C3(Cc4nncn4C)COC3)c2)nc(C2CC2)n1
|
C22H24N6O2 404.474000 |
VMVFABHXOIBCAE-UHFFFAOYSA-N | Q13191 | E3 ubiquitin-protein ligase CBL-B |
BindingDB, PubChem
BindingDB:BDBM585844; PubChem:CID139350084
|
Local ready
Direct docking supported
|
|
E3L029345
BDB029345
|
BDBM588052
Cc1cc(C)c(CNC(=O)c2cc(Cl)c3c(c2C)O[C@@](C)([C@H]2CC[C@H](N(C)C)CC2)O3)c(=O)[nH]1
|
C26H34ClN3O4 488.028000 |
SSDRNUPMYCFXGM-UYPAYLBCSA-N | O14686, O96028, Q03164, Q8NEZ4, Q96L73, Q9BZ95 | Histone-lysine N-methyltransferase 2A, Histone-lysine N-methyltransferase, H3 lysine-36 specific, Histone-lysine N-methyltransferase 2D, Histone-lysine N-methyltransferase NSD2, Histone-lysine N-methyltransferase 2C, Histone-lysine N-methyltransferase NSD3 |
BindingDB
BindingDB:BDBM588052
|
Local ready
Direct docking supported
|
|
E3L029346
BDB029346
|
BDBM588089
COc1nc2c(OCC3CCC(=O)N3)cccc2cc1C(N)=O
|
C16H17N3O4 315.329000 |
IURVALWFNKWINR-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588089; PubChem:CID139386486
|
Local ready
Direct docking supported
|
|
E3L029347
BDB029347
|
BDBM588090
COc1cc2c(OCC3CCC(=O)N3)cccc2nc1C(N)=O
|
C16H17N3O4 315.329000 |
JQXWWMSLUUXVJZ-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588090; PubChem:CID139369762
|
Local ready
Direct docking supported
|
|
E3L029348
BDB029348
|
BDBM588093
CC[C@H]1C(COc2cccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F
|
C18H20FN3O4 361.373000 |
KNLLETNQZOBJHR-QHSVJNGKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588093; PubChem:CID148229263
|
Local ready
Direct docking supported
|
|
E3L029349
BDB029349
|
BDBM588095
COc1nc2c(OCC3CC(F)(F)C(=O)N3)cccc2cc1C(N)=O
|
C16H15F2N3O4 351.309000 |
LBEAYFURUOTXQM-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588095; PubChem:CID155317064
|
Local ready
Direct docking supported
|
|
E3L029350
BDB029350
|
BDBM588097
CC[C@H]1C(COc2nccc3cc(C(N)=O)c(OC)nc23)NC(=O)[C@H]1F
|
C17H19FN4O4 362.361000 |
OTRLIPKTWNRPOC-VAGKLZBCSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588097; PubChem:CID166637160
|
Local ready
Direct docking supported
|
|
E3L029351
BDB029351
|
BDBM588177
O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCOCCOCCC(=O)N4CCC(c5cnn(-c6ccccn6)c5NC(=O)c5cccc(-c6cc[nH]c6)n5)CC4)c3C2=O)C(=O)N1
|
C47H52N10O10 916.993000 |
VDJSCKUWUKCUEK-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM588177
|
Local ready
Direct docking supported
|
|
E3L029352
BDB029352
|
BDBM588178
O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCC(=O)N4CCC(c5cc(NC(=O)c6cccc(-c7ccn[nH]7)n6)n(-c6ccccn6)n5)CC4)c3C2=O)C(=O)N1
|
C42H43N11O8 829.875000 |
FQGLEOSEPJEJPE-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM588178
|
Local ready
Direct docking supported
|
|
E3L029353
BDB029353
|
BDBM588179
O=C1CCC(N2C(=O)c3cccc(NCCOCCOCCCC(=O)N4CCC(c5cnn(-c6ccccn6)c5NC(=O)c5cccc(-c6cc[nH]c6)n5)CC4)c3C2=O)C(=O)N1
|
C44H46N10O8 842.914000 |
VVQWKIHKNXGJKG-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM588179
|
Local ready
Direct docking supported
|
|
E3L029354
BDB029354
|
BDBM588180
O=C1CCC(N2C(=O)c3cccc(OCCCCCCCCC(=O)N4CCC(c5cnn(-c6ccccn6)c5NC(=O)c5cccc(-c6cc[nH]c6)n5)CC4)c3C2=O)C(=O)N1
|
C45H47N9O7 825.927000 |
CRSHGUZUNKJVIT-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588180; PubChem:CID166637166
|
Local ready
Direct docking supported
|
|
E3L029355
BDB029355
|
BDBM588181
CC(C)N1CCC(c2cc(NC(=O)c3cccc(-c4ccn[nH]4)c3)n(-c3ccccn3)n2)CC1
|
C26H29N7O 455.566000 |
KLAHVJUJQYVKPO-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588181; PubChem:CID166637167
|
Local ready
Direct docking supported
|
|
E3L029356
BDB029356
|
BDBM588182
C=CC(=O)Nc1cccc(C(=O)Nc2ccc(NC(=O)c3cccc(-c4ccn[nH]4)c3)cc2)c1
|
C26H21N5O3 451.486000 |
JECFXYJOFJETGU-UHFFFAOYSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB, PubChem
BindingDB:BDBM588182; PubChem:CID139478851
|
Local ready
Direct docking supported
|
|
E3L029357
BDB029357
|
6-Phenyl-1,3-dihydro-indol-2-one
O=C1Cc2ccc(-c3ccccc3)cc2N1
|
C14H11NO 209.248000 |
BRTXRFCARXOWJV-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM588279; PubChem:CID10536384
|
Local ready
Direct docking supported
|
|
E3L029358
BDB029358
|
6-Pyridin-4-yl-1,3-dihydroindol-2-one
O=C1Cc2ccc(-c3ccncc3)cc2N1
|
C13H10N2O 210.236000 |
UNJXBHLSAUMSRF-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM588282; PubChem:CID69883804
|
Local ready
Direct docking supported
|
|
E3L029359
BDB029359
|
6-Pyridin-3-yl-1,3-dihydro-indol-2-one
O=C1Cc2ccc(-c3cccnc3)cc2N1
|
C13H10N2O 210.236000 |
PLKUMBPHLXKUJY-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM588283; PubChem:CID21915579
|
Local ready
Direct docking supported
|
|
E3L029360
BDB029360
|
6-Pyridin-2-yl-1,3-dihydroindol-2-one
O=C1Cc2ccc(-c3ccccn3)cc2N1
|
C13H10N2O 210.236000 |
GJQHMODRXXAVFN-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB, PubChem
BindingDB:BDBM588284; PubChem:CID69883959
|
Local ready
Direct docking supported
|