| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L061721
BDB061721
|
BDBM50586184
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)cc4)nc4[nH]ccc34)cn2)C1
|
C40H44N12O5S 804.938000 |
FTPOFCHJCWFAIM-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50586184
|
Local ready
Direct docking supported
|
|
E3L061722
BDB061722
|
BDBM50586185
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCN(c6ccc(C7CCC(=O)NC7=O)cc6)CC5)cc4)nc4[nH]ccc34)cn2)C1
|
C41H46N12O5S 818.965000 |
WBEBZVDAHMXWJN-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50586185
|
Local ready
Direct docking supported
|
|
E3L061723
BDB061723
|
BDBM50586186
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CC6CC5CN6c5ccc(C6CCC(=O)NC6=O)cc5)cc4)nc4[nH]ccc34)cn2)C1
|
C42H46N12O5S 830.976000 |
RSFUBQJFNCMAGS-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50586186
|
Local ready
Direct docking supported
|
|
E3L061724
BDB061724
|
BDBM50586187
CCS(=O)(=O)N1CC(CC#N)(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCC6(CC5)CCN(c5ccc(C7CCC(=O)NC7=O)cc5)CC6)cc4)nc4[nH]ccc34)cn2)C1
|
C46H54N12O5S 887.084000 |
NTHVTKVZITWROX-UHFFFAOYSA-N | Q96SW2 | Protein cereblon |
BindingDB
BindingDB:BDBM50586187
|
Local ready
Direct docking supported
|
|
E3L061725
BDB061725
|
PPARgamma phosphorylation inhibitor 1
O=C(O)c1nn(Cc2ccc(Cl)c(Cl)c2)c(=O)c2cc(Oc3ccccc3)ccc12
|
C22H14Cl2N2O4 441.270000 |
IQKNCBUBONVBNJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50586288; PubChem:CID163201213
|
Local ready
Direct docking supported
|
|
E3L061726
BDB061726
|
BDBM50586454
O=C(Nc1ccccc1)Nc1ncc(CCNc2ncnc3ccccc23)s1
|
C20H18N6OS 390.472000 |
FHXPGUMMAZLBLK-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586454; PubChem:CID166633309
|
Local ready
Direct docking supported
|
|
E3L061727
BDB061727
|
BDBM50586455
COc1cc2ncnc(NCCc3cnc(NC(=O)Nc4ccccc4)s3)c2cc1OC
|
C22H22N6O3S 450.524000 |
YRWLMJGCYQGYBC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586455; PubChem:CID166630835
|
Local ready
Direct docking supported
|
|
E3L061728
BDB061728
|
BDBM50586456
CCOc1cc2ncnc(NCCc3cnc(NC(=O)Nc4cccc(Cl)c4)s3)c2cc1F
|
C22H20ClFN6O2S 486.960000 |
ODOLWWHPGCZIES-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586456; PubChem:CID166630285
|
Local ready
Direct docking supported
|
|
E3L061729
BDB061729
|
BDBM50586457
CN(C)CCCOc1ccc2c(NCCc3cnc(NC(=O)Nc4ccccc4)s3)ncnc2c1
|
C25H29N7O2S 491.621000 |
HFSAPSJDZCNDHC-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586457; PubChem:CID59268695
|
Local ready
Direct docking supported
|
|
E3L061730
BDB061730
|
BDBM50586458
O=C(Nc1ccccc1)Nc1ccc(CCNc2ncnc3ccccc23)cc1
|
C23H21N5O 383.455000 |
UNCZMIFVJLNKAJ-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586458; PubChem:CID59268623
|
Local ready
Direct docking supported
|
|
E3L061731
BDB061731
|
BDBM50586459
COc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1OC
|
C25H25N5O3 443.507000 |
AJMTUUMTBJOKEW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586459; PubChem:CID45137538
|
Local ready
Direct docking supported
|
|
E3L061732
BDB061732
|
BDBM50586460
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
|
C25H23ClFN5O2 479.943000 |
UPPFVXUAUOJMMB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586460; PubChem:CID166632982
|
Local ready
Direct docking supported
|
|
E3L061733
BDB061733
|
BDBM50586461
CN(C)CCCOc1ccc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2c1
|
C28H32N6O2 484.604000 |
RADWEEJGFUTQGB-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586461; PubChem:CID45102600
|
Local ready
Direct docking supported
|
|
E3L061734
BDB061734
|
BDBM50586462
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
|
C24H22FN5O2 431.471000 |
BDVRFFAXYBXOLT-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586462; PubChem:CID166633771
|
Local ready
Direct docking supported
|
|
E3L061735
BDB061735
|
BDBM50586463
CCOc1cc2ncnc(NCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
|
C24H21ClFN5O2 465.916000 |
AVURJNXZMDCUCD-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586463; PubChem:CID166629828
|
Local ready
Direct docking supported
|
|
E3L061736
BDB061736
|
BDBM50586464
CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
|
C23H20FN5O2 417.444000 |
OIPMVVIBKQVFHF-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586464; PubChem:CID166625323
|
Local ready
Direct docking supported
|
|
E3L061737
BDB061737
|
BDBM50586465
CCOc1cc2ncnc(Nc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)c2cc1F
|
C23H19ClFN5O2 451.889000 |
DRHGLWQBMHVRRM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586465; PubChem:CID166626469
|
Local ready
Direct docking supported
|
|
E3L061738
BDB061738
|
BDBM50586466
CCOc1cc2c(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)ncnc2cc1F
|
C25H24FN5O2 445.498000 |
XUPDHLLJHKURRW-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586466; PubChem:CID166626655
|
Local ready
Direct docking supported
|
|
E3L061739
BDB061739
|
BDBM50586467
CCOc1cc2c(NCCc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)ncnc2cc1F
|
C25H23ClFN5O2 479.943000 |
QDRPJYJFQRQZDU-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586467; PubChem:CID166627269
|
Local ready
Direct docking supported
|
|
E3L061740
BDB061740
|
BDBM50586468
CCOc1cc2ncnc(NCCc3ccc(NC(=O)Nc4ccccc4)cc3)c2cc1F
|
C25H24FN5O2 445.498000 |
SEDMTMSVJDRRTN-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50586468; PubChem:CID166631275
|
Local ready
Direct docking supported
|