| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L026401
BDB026401
|
BDBM557659
O=C1CCC(N2C[C@H](c3cccc(Br)c3)OC2=O)C(=O)N1
|
C14H13BrN2O4 353.172000 |
KUQQFAJLGAYPQZ-RRKGBCIJSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM557659; PubChem:CID138496394
|
Local ready
Direct docking supported
|
|
E3L026402
BDB026402
|
BDBM557660
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCCOCCOCCOCCOCCNC(=O)OC(C)(C)C)cc21
|
C29H44N4O9 592.690000 |
FMONLSATEBTIDW-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM557660; PubChem:CID138496397
|
Local ready
Direct docking supported
|
|
E3L026403
BDB026403
|
BDBM557661
Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C#CCOCCOCCNC(=O)OC(C)(C)C)c21
|
C25H32N4O7 500.552000 |
SHNIDPKWAVGNSF-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM557661; PubChem:CID138496395
|
Local ready
Direct docking supported
|
|
E3L026404
BDB026404
|
BDBM557662
Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C(N)=O)cc21
|
C14H14N4O4 302.290000 |
IIRMGEPJUGJKIN-UHFFFAOYSA-N | Q16531, Q96SW2 | DNA damage-binding protein 1 |
BindingDB, PubChem
BindingDB:BDBM557662; PubChem:CID138491638
|
Local ready
Direct docking supported
|
|
E3L026405
BDB026405
|
US11365205, Example 1
Cn1cnc2ccc(CN3CCN(CC(O)CN4CCc5ccccc5C4)C3=O)cc21
|
C24H29N5O2 419.529000 |
WGLDMWPZXFXJCC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558723; PubChem:CID139527006
|
Local ready
Direct docking supported
|
|
E3L026406
BDB026406
|
US11365205, Example 1a
Cn1cnc2ccc(CN3CCN(C[C@H](O)CN4CCc5ccccc5C4)C3=O)cc21
|
C24H29N5O2 419.529000 |
WGLDMWPZXFXJCC-OAQYLSRUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558724; PubChem:CID165112644
|
Local ready
Direct docking supported
|
|
E3L026407
BDB026407
|
US11365205, Example 1b
Cn1cnc2ccc(CN3CCN(C[C@@H](O)CN4CCc5ccccc5C4)C3=O)cc21
|
C24H29N5O2 419.529000 |
WGLDMWPZXFXJCC-NRFANRHFSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558725; PubChem:CID165112645
|
Local ready
Direct docking supported
|
|
E3L026408
BDB026408
|
US11365205, Example 2
CC1(C)CN(Cc2ccc(C#N)cc2)C(=O)N1CC(O)CN1CCc2ccccc2C1
|
C25H30N4O2 418.541000 |
CFWIOFLDKMVDHR-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558726; PubChem:CID139526990
|
Local ready
Direct docking supported
|
|
E3L026409
BDB026409
|
US11365205, Example 2a
CC1(C)CN(Cc2ccc(C#N)cc2)C(=O)N1C[C@H](O)CN1CCc2ccccc2C1
|
C25H30N4O2 418.541000 |
CFWIOFLDKMVDHR-HSZRJFAPSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558727; PubChem:CID165112646
|
Local ready
Direct docking supported
|
|
E3L026410
BDB026410
|
US11365205, Example 2b
CC1(C)CN(Cc2ccc(C#N)cc2)C(=O)N1C[C@@H](O)CN1CCc2ccccc2C1
|
C25H30N4O2 418.541000 |
CFWIOFLDKMVDHR-QHCPKHFHSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558728; PubChem:CID165112647
|
Local ready
Direct docking supported
|
|
E3L026411
BDB026411
|
US11365205, Example 3
CN(C)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
|
C24H32N4O2 408.546000 |
GOJPJXOCXSMUBD-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558729; PubChem:CID139527146
|
Local ready
Direct docking supported
|
|
E3L026412
BDB026412
|
US11365205, Example 4
Cn1nccc1CN1CCN(CC(O)CN2CCc3ccccc3C2)C1=O
|
C20H27N5O2 369.469000 |
DSPGJVJPTLFOSL-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558730; PubChem:CID139527147
|
Local ready
Direct docking supported
|
|
E3L026413
BDB026413
|
US11365205, Example 5
Cc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
|
C25H33N3O2 407.558000 |
HTZSSZPITIPXQB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558731; PubChem:CID139526838
|
Local ready
Direct docking supported
|
|
E3L026414
BDB026414
|
US11365205, Example 6
Cc1ccc(CN2CC3(CC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
|
C24H30N4O2 406.530000 |
CABJCHJFCRCKHC-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558732; PubChem:CID139526835
|
Local ready
Direct docking supported
|
|
E3L026415
BDB026415
|
US11365205, Example 7
Cc1ccc(CN2CC(C)(C)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
|
C24H32N4O2 408.546000 |
YZDAQMVMRAKSDZ-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558733; PubChem:CID139526839
|
Local ready
Direct docking supported
|
|
E3L026416
BDB026416
|
US11365205, Example 8
Cc1ccc(CN2CC3(CCCC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
|
C26H34N4O2 434.584000 |
LQTRETZKPAQSNX-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558734; PubChem:CID139527039
|
Local ready
Direct docking supported
|
|
E3L026417
BDB026417
|
US11365205, Example 9
Cc1ccc(CN2CC3(CCC3)N(CC(O)CN3CCc4ccccc4C3)C2=O)cn1
|
C25H32N4O2 420.557000 |
JGXVARXXECMECH-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558735; PubChem:CID139527050
|
Local ready
Direct docking supported
|
|
E3L026418
BDB026418
|
US11365205, Example 10
Cc1ccc(CN2C(=O)N(CC(O)CN3CCc4ccccc4C3)CC2(C)C)cc1
|
C25H33N3O2 407.558000 |
QWYDWBAFWBCOEP-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558736; PubChem:CID139527041
|
Local ready
Direct docking supported
|
|
E3L026419
BDB026419
|
US11365205, Example 11
CS(=O)(=O)c1ccc(CN2CCN(CC(O)CN3CCc4ccccc4C3)C2=O)cc1
|
C23H29N3O4S 443.569000 |
ACMUUVXHBJKNMB-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558737; PubChem:CID139527208
|
Local ready
Direct docking supported
|
|
E3L026420
BDB026420
|
US11365205, Example 12
CC1(C)CN(Cc2ccc(C#N)nc2)C(=O)N1CC(O)CN1CCc2ccccc2C1
|
C24H29N5O2 419.529000 |
CUKICEGYWLRJIP-UHFFFAOYSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM558738; PubChem:CID139527210
|
Local ready
Direct docking supported
|