| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005941
BDB005941
|
BDBM135815
COc1cccc2c1ncc1c(=O)n(-c3cc(C)cs3)c(=O)n(C3CCCC3)c12
|
C22H21N3O3S 407.495000 |
XBMCCMKXNQMPDO-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135815; PubChem:CID58329473
|
Local ready
Direct docking supported
|
|
E3L005942
BDB005942
|
BDBM135816
COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCCC3)c12
|
C24H23N3O3 401.466000 |
NMCBQDCTQPGXHQ-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135816; PubChem:CID58329436
|
Local ready
Direct docking supported
|
|
E3L005943
BDB005943
|
BDBM135817
COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCCC3)c12
|
C24H21N3O5 431.448000 |
JMKXHWHMULJLQG-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135817; PubChem:CID44187418
|
Local ready
Direct docking supported
|
|
E3L005944
BDB005944
|
BDBM135818
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCN(S(C)(=O)=O)CC3)c12
|
C24H23ClN4O5S 514.991000 |
MUQKVPSLHRVESB-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135818; PubChem:CID44187421
|
Local ready
Direct docking supported
|
|
E3L005945
BDB005945
|
BDBM135819
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(C(=O)O)CC3)c12
|
C25H22ClN3O5 479.920000 |
VLSIAPYZDCCBPU-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135819; PubChem:CID44137274
|
Local ready
Direct docking supported
|
|
E3L005946
BDB005946
|
BDBM135820
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@@H]3CCN(S(C)(=O)=O)C3)c12
|
C23H21ClN4O5S 500.964000 |
QBTZSDNOQVLDBB-MRXNPFEDSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135820; PubChem:CID58329426
|
Local ready
Direct docking supported
|
|
E3L005947
BDB005947
|
BDBM135821
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n([C@H]3CCN(S(C)(=O)=O)C3)c12
|
C23H21ClN4O5S 500.964000 |
QBTZSDNOQVLDBB-INIZCTEOSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135821; PubChem:CID58329402
|
Local ready
Direct docking supported
|
|
E3L005948
BDB005948
|
BDBM135824
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(NS(C)(=O)=O)CC3)c12
|
C25H25ClN4O5S 529.018000 |
QMGJUCFLYMBHRX-UHFFFAOYSA-N | Q99732 | Lipopolysaccharide-induced tumor necrosis factor-alpha factor |
BindingDB, PubChem
BindingDB:BDBM135824; PubChem:CID59419559
|
Local ready
Direct docking supported
|
|
E3L005949
BDB005949
|
BDBM135917
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCCCC1)C(=O)C2
|
C25H30ClNO3 427.972000 |
QNRITHZVFXAWCE-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135917; PubChem:CID71145630
|
Local ready
Direct docking supported
|
|
E3L005950
BDB005950
|
BDBM135918
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(N(C)C(C)=O)CC1)C(=O)C2
|
C28H35ClN2O4 499.051000 |
LEAVUOYUNMOINI-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135918; PubChem:CID71145915
|
Local ready
Direct docking supported
|
|
E3L005951
BDB005951
|
BDBM135919
CCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3C2c2ccc(Cl)cc2)CC1
|
C29H37ClN2O4 513.078000 |
FKYCSPSQXGWOPR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135919; PubChem:CID71145856
|
Local ready
Direct docking supported
|
|
E3L005952
BDB005952
|
BDBM135920
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(NC(C)=O)CC1)C(=O)C2
|
C27H33ClN2O4 485.024000 |
AAFAIDAWSBZQNF-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM135920; PubChem:CID71145392
|
Local ready
Direct docking supported
|
|
E3L005953
BDB005953
|
BDBM135921
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(N(C)CCO)CC1)C(=O)C2
|
C28H37ClN2O4 501.067000 |
SAYQWFWJCLMCHE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135921; PubChem:CID71145628
|
Local ready
Direct docking supported
|
|
E3L005954
BDB005954
|
BDBM135922
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(NC(N)=O)CC1)C(=O)C2
|
C26H32ClN3O4 486.012000 |
JJIDFPDJFTUZLI-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135922; PubChem:CID71145575
|
Local ready
Direct docking supported
|
|
E3L005955
BDB005955
|
BDBM135923
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(N(C)C(N)=O)CC1)C(=O)C2
|
C27H34ClN3O4 500.039000 |
PVWIHZKBGXGVTC-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM135923; PubChem:CID71145887
|
Local ready
Direct docking supported
|
|
E3L005956
BDB005956
|
BDBM135924
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(N3CCNC3=O)CC1)C(=O)C2
|
C28H34ClN3O4 512.050000 |
OMVWUOHSEOVQGN-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135924; PubChem:CID71145768
|
Local ready
Direct docking supported
|
|
E3L005957
BDB005957
|
BDBM135925
COc1cc2c(cc1OC(C)C)C(c1ccc(Cl)cc1)N(C1CCC(N(C)C(=O)CCO)CC1)C(=O)C2
|
C29H37ClN2O5 529.077000 |
WVFCXNDELQILBB-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135925; PubChem:CID71145663
|
Local ready
Direct docking supported
|
|
E3L005958
BDB005958
|
BDBM135926
CCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3C2c2ccc(Cl)cc2)CC1
|
C30H39ClN2O4 527.105000 |
ZRGUAUGCSSELEL-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM135926; PubChem:CID71145772
|
Local ready
Direct docking supported
|
|
E3L005959
BDB005959
|
BDBM135927
CCCN(C=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3C2c2ccc(Cl)cc2)CC1
|
C29H37ClN2O4 513.078000 |
KBWUPIYRELZVRV-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135927; PubChem:CID71476563
|
Local ready
Direct docking supported
|
|
E3L005960
BDB005960
|
BDBM135928
CCCCN(C(C)=O)C1CCC(N2C(=O)Cc3cc(OC)c(OC(C)C)cc3C2c2ccc(Cl)cc2)CC1
|
C31H41ClN2O4 541.132000 |
AIOQOOTYOMVRRM-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM135928; PubChem:CID71145784
|
Local ready
Direct docking supported
|