| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062801
BDB062801
|
BDBM50606367
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(NC(=O)CCCN4CCOCC4)cc3)c3ccccc23)cc1
|
C35H40N6O9S2 752.872000 |
VHBXLRBGNUUXHI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50606367; PubChem:CID168296346
|
Local ready
Direct docking supported
|
|
E3L062802
BDB062802
|
BDBM50606368
CCN1CCN(CCCC(=O)Nc2ccc(S(=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)=O)S(=O)(=O)c4ccc(OC)cc4)c4ccccc34)cc2)CC1
|
C37H45N7O8S2 779.942000 |
XGGQQFHSICPQPI-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50606368; PubChem:CID168284692
|
Local ready
Direct docking supported
|
|
E3L062803
BDB062803
|
BDBM50606369
COc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)S(=O)(=O)c3ccc(NC(=O)CCCN4CCN(C(C)C)CC4)cc3)c3ccccc23)cc1
|
C38H47N7O8S2 793.969000 |
FMPHKXBTBLUHGX-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50606369; PubChem:CID168269692
|
Local ready
Direct docking supported
|
|
E3L062804
BDB062804
|
BDBM50606587
Cc1ccc(NC(=O)Cn2cc(CN(C(=O)CCC(=O)OC(C)(C)C)C(C(=O)NC3CCCCC3)c3c[nH]c4cc(Cl)ccc34)nn2)c(C)c1
|
C37H46ClN7O5 704.272000 |
BDBJRQVRBCTOEL-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50606587; PubChem:CID168298856
|
Local ready
Direct docking supported
|
|
E3L062805
BDB062805
|
BDBM50606589
COC(=O)C1CC2CSCN2C12C(=O)Nc1ccc(NCc3ccc([N+](=O)[O-])cc3OCC(=O)O)cc12
|
C24H24N4O8S 528.543000 |
JPJKFRDTRPWLGR-UHFFFAOYSA-N | Q09472 | Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50606589; PubChem:CID168299808
|
Local ready
Direct docking supported
|
|
E3L062806
BDB062806
|
BDBM50606699
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCCOCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
|
C54H85NO15 988.266000 |
SZLDHHYNQHTTRI-UNASQXLBSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606699
|
Local ready
Direct docking supported
|
|
E3L062807
BDB062807
|
BDBM50606700
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCCOCCOCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
|
C56H89NO16 1032.319000 |
SUJIALJWEKSGPM-SJLQVODTSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606700
|
Local ready
Direct docking supported
|
|
E3L062808
BDB062808
|
BDBM50606701
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCCSCCSCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
|
C56H89NO14S2 1064.455000 |
FFLDLTVATCIHHJ-SJLQVODTSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606701
|
Local ready
Direct docking supported
|
|
E3L062809
BDB062809
|
BDBM50606702
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCCOCCOCCOCCOCCOCCOCCOCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
|
C66H109NO21 1252.584000 |
FGLBYLXBDSWYMS-ZUEOZOSKSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606702
|
Local ready
Direct docking supported
|
|
E3L062810
BDB062810
|
BDBM50606703
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@@H](OCC3COCCOCCOCCO3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
|
C59H93NO17 1088.383000 |
NCAZCDLIVOSTMU-GLWXMXPSSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606703
|
Local ready
Direct docking supported
|
|
E3L062811
BDB062811
|
BDBM50606704
CC1(C)COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2)n1
|
C19H25F2N7O2 421.452000 |
CSLVGODBTQVCKU-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50606704; PubChem:CID121334513
|
Local ready
Direct docking supported
|
|
E3L062812
BDB062812
|
BDBM50606705
CC1(C)COCCN1c1nc(-c2cnc(N)cc2C(F)F)nc(N2CCOCC2(C)C)n1
|
C21H29F2N7O2 449.506000 |
BFWNUTHNJXXPSV-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50606705; PubChem:CID121334416
|
Local ready
Direct docking supported
|
|
E3L062813
BDB062813
|
BDBM50606706
Nc1ncc(-c2nc(N3C4CCC3COC4)nc(N3C4COCC3COC4)n2)c(C(F)F)n1
|
C20H24F2N8O3 462.461000 |
TXZDQMGQQGAAGN-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50606706; PubChem:CID168299694
|
Local ready
Direct docking supported
|
|
E3L062814
BDB062814
|
BDBM50606707
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(OCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1OC(=O)NCCc1ccccc1
|
C61H90N2O15 1091.390000 |
QCTFVKSUOJNDIU-PKWAGSGHSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606707
|
Local ready
Direct docking supported
|
|
E3L062815
BDB062815
|
BDBM50606708
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(OCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1OCCCN1CCOC[C@H]1C
|
C60H96N2O15 1085.427000 |
MHUXWVXSHPKHOH-ZEMJUZMISA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606708
|
Local ready
Direct docking supported
|
|
E3L062816
BDB062816
|
BDBM50606709
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(OCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1OCCCN1CCOC[C@@H]1C
|
C60H96N2O15 1085.427000 |
MHUXWVXSHPKHOH-UMFRNSKPSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606709
|
Local ready
Direct docking supported
|
|
E3L062817
BDB062817
|
BDBM50606710
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(OCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1OCCCN1CCOC(C)(C)C1
|
C61H98N2O15 1099.454000 |
UTHMBBRRISIROG-WGKWZLCJSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606710
|
Local ready
Direct docking supported
|
|
E3L062818
BDB062818
|
BDBM50606711
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)C(OCCO)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1OCCCN1C[C@@H](C)O[C@@H](C)C1
|
C61H98N2O15 1099.454000 |
CRYXPWDLRGLZDJ-HBKVEUHOSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606711
|
Local ready
Direct docking supported
|
|
E3L062819
BDB062819
|
BDBM50606717
CO[C@@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)OC([C@H](C)C[C@@H]2C[C@@H]3C[C@H]2C[C@H]3O)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C
|
C51H77NO12 896.172000 |
PWOJHTAZPQKPPN-MCVDMIQGSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB
BindingDB:BDBM50606717
|
Local ready
Direct docking supported
|
|
E3L062820
BDB062820
|
US11518767, Example 1-2
CC(C)CC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
|
C18H22N6O 338.415000 |
JGRISWOXHZGZPV-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM50606733; PubChem:CID142608599
|
Local ready
Direct docking supported
|