| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L060581
BDB060581
|
BDBM50559588
Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(-c2ccccc2)cc1
|
C22H18N2O2S 374.465000 |
FLXJSXUCSQKTMW-MOSHPQCFSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50559588; PubChem:CID1368479
|
Local ready
Direct docking supported
|
|
E3L060582
BDB060582
|
BDBM50559764
OC[C@H]1CN(Cc2c[nH]cn2)C[C@@H]1O
|
C9H15N3O2 197.238000 |
ZOIAXNQLHHCVAF-APPZFPTMSA-N | P29372 | DNA-3-methyladenine glycosylase |
BindingDB, PubChem
BindingDB:BDBM50559764; PubChem:CID162652841
|
Local ready
Direct docking supported
|
|
E3L060583
BDB060583
|
BDBM50560174
Cc1cc2c(-c3ccco3)cnc(N[C@@H]3CCN(C)C[C@H]3C(=O)NC3CCCCC3)c2[nH]c1=O
|
C26H33N5O3 463.582000 |
NDEORODKVUYMFQ-NHCUHLMSSA-N | O15164 | Transcription intermediary factor 1-alpha |
BindingDB, PubChem
BindingDB:BDBM50560174; PubChem:CID146681130
|
Local ready
Direct docking supported
|
|
E3L060584
BDB060584
|
BDBM50560704
Cn1cc(-c2ccc3occ(-c4cccc(-c5ccncc5)c4)c3n2)cn1
|
C22H16N4O 352.397000 |
HEAGNKNMQVIVMM-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50560704; PubChem:CID155891794
|
Local ready
Direct docking supported
|
|
E3L060585
BDB060585
|
BDBM50560741
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N2CC(Nc3cc(C(=O)NC[C@H](O)CN4CCc5ccccc5C4)ncn3)C2)C(C)(C)C)cc1
|
C55H76N10O12S 1101.338000 |
XUJMNOQMXWVXQE-STHBVIMFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB
BindingDB:BDBM50560741
|
Local ready
Direct docking supported
|
|
E3L060586
BDB060586
|
Negative control for MS4322
Cc1ncsc1-c1ccc([C@H](C)NC(=O)[C@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)COCCOCCOCCOCCOCC(=O)N2CC(Nc3cc(C(=O)NC[C@H](O)CN4CCc5ccccc5C4)ncn3)C2)C(C)(C)C)cc1
|
C55H76N10O12S 1101.338000 |
XUJMNOQMXWVXQE-KPPAQSJOSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50560742; PubChem:CID162659848
|
Local ready
Direct docking supported
|
|
E3L060587
BDB060587
|
BDBM50560885
CC(=O)N1CCN([C@H]2CC[C@@H](Nc3ncnc4[nH]cc(C(C)C)c34)CC2)CC1
|
C21H32N6O 384.528000 |
ACJQMCQTSXRKNU-CALCHBBNSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50560885
|
Local ready
Direct docking supported
|
|
E3L060588
BDB060588
|
BDBM50560886
CC(=O)N1CCN([C@H]2CC[C@@H](Nc3ncnn4ccc(C(C)C)c34)CC2)CC1
|
C21H32N6O 384.528000 |
FQBRQRVXPUQKLG-HDICACEKSA-N | P51617 | Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50560886
|
Local ready
Direct docking supported
|
|
E3L060589
BDB060589
|
BDBM50560887
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12
|
C46H61N11O6 864.065000 |
PVLXFMAKABZOPF-YVLRYLSESA-N | P51617, Q96SW2 | Protein cereblon, Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50560887
|
Local ready
Direct docking supported
|
|
E3L060590
BDB060590
|
BDBM50560888
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)CC5)CC4)CC3)c12
|
C47H63N11O6 878.092000 |
ZUODKONSNNHSAJ-AMLBMYBGSA-N | P51617, Q96SW2 | Interleukin-1 receptor-associated kinase 1, Protein cereblon |
BindingDB
BindingDB:BDBM50560888
|
Local ready
Direct docking supported
|
|
E3L060591
BDB060591
|
BDBM50560889
CC(C)c1ccn2ncnc(N[C@H]3CC[C@@H](N4CCN(C(=O)CCC(=O)N5CCC(CCN6CCN(c7ccc8c(c7)C(=O)N(C7CCC(=O)N(C)C7=O)C8=O)CC6)CC5)CC4)CC3)c12
|
C48H65N11O6 892.119000 |
GDDYLBPIGVZFSF-UKMVIOKASA-N | P51617, Q96SW2 | Protein cereblon, Interleukin-1 receptor-associated kinase 1 |
BindingDB
BindingDB:BDBM50560889
|
Local ready
Direct docking supported
|
|
E3L060592
BDB060592
|
BDBM50561318
Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](OC(=O)Cc2ccccc2)C(C)(C)C)cc1
|
C30H35N3O5S 549.693000 |
QGYKSZSGBAAAIX-ONBPZOJHSA-N | P40337 | von Hippel-Lindau disease tumor suppressor |
BindingDB, PubChem
BindingDB:BDBM50561318; PubChem:CID162664558
|
Local ready
Direct docking supported
|
|
E3L060593
BDB060593
|
BDBM50561527
Nc1nc(N[C@H]2C[C@@H]3CC[C@H]2C3)sc1C(=O)c1ccccc1[N+](=O)[O-]
|
C17H18N4O3S 358.423000 |
JRNXAQINDCOHGS-SCVCMEIPSA-N | P51948 | Cyclin-H |
BindingDB, PubChem
BindingDB:BDBM50561527; PubChem:CID137333456
|
Local ready
Direct docking supported
|
|
E3L060594
BDB060594
|
BDBM50561804
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC(N)CC2)[C@@H](O)[C@H]1O
|
C15H23N7O3 349.395000 |
ANWLABNDQPZDDU-SDBHATRESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561804; PubChem:CID162655967
|
Local ready
Direct docking supported
|
|
E3L060595
BDB060595
|
BDBM50561805
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CNC3)[C@@H](O)[C@H]1O
|
C16H23N7O3 361.406000 |
LWDSCWNNOJAKCH-SDBHATRESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561805; PubChem:CID130419221
|
Local ready
Direct docking supported
|
|
E3L060596
BDB060596
|
BDBM50561806
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCNC3)[C@@H](O)[C@H]1O
|
C17H25N7O3 375.433000 |
YOMMNJDRQPKGBA-NNYHISJYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561806; PubChem:CID130419213
|
Local ready
Direct docking supported
|
|
E3L060597
BDB060597
|
BDBM50561807
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCCC23CCNCC3)[C@@H](O)[C@H]1O
|
C18H27N7O3 389.460000 |
NBMHRKZWASUUCJ-LSCFUAHRSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561807; PubChem:CID130418954
|
Local ready
Direct docking supported
|
|
E3L060598
BDB060598
|
BDBM50561808
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC23CNC3)[C@@H](O)[C@H]1O
|
C15H21N7O3 347.379000 |
JVWYXERBEOIFLM-IDTAVKCVSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561808; PubChem:CID130419215
|
Local ready
Direct docking supported
|
|
E3L060599
BDB060599
|
BDBM50561809
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC23CCNCC3)[C@@H](O)[C@H]1O
|
C17H25N7O3 375.433000 |
YCKWGYGWVSPDST-XNIJJKJLSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561809; PubChem:CID130418900
|
Local ready
Direct docking supported
|
|
E3L060600
BDB060600
|
BDBM50561810
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN2CCC3(CCNCC3)C2)[C@@H](O)[C@H]1O
|
C18H27N7O3 389.460000 |
YWFSUVOUEYQNOY-LSCFUAHRSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM50561810; PubChem:CID130418955
|
Local ready
Direct docking supported
|