| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055621
BDB055621
|
BDBM50425730
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1
|
C30H45N5O3 523.722000 |
STMKHYWFPMLFAV-PWZZVKMOSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50425730; PubChem:CID66972991
|
Local ready
Direct docking supported
|
|
E3L055622
BDB055622
|
BDBM50425731
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@H](C)c1ccccc1)C1CCCCC1
|
C28H43N5O3 497.684000 |
CDSDNORWWOJTBG-KJGFFNNUSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50425731
|
Local ready
Direct docking supported
|
|
E3L055623
BDB055623
|
BDBM50425829
O=C(NCCCN1CCOC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
|
C23H28Cl2N6O3 507.422000 |
XYASHXPUZJDWIO-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425829; PubChem:CID71552942
|
Local ready
Direct docking supported
|
|
E3L055624
BDB055624
|
BDBM50425830
O=C(NCCCN1CCCC1=O)c1cnc(NCc2cc(Cl)ccc2Cl)nc1NC1CCCC1
|
C24H30Cl2N6O2 505.450000 |
VDKBGBCLPKTOGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425830; PubChem:CID71552941
|
Local ready
Direct docking supported
|
|
E3L055625
BDB055625
|
BDBM50425861
COc1ccccc1CNc1ncc(C(=O)NC2CCN(C)CC2)c(NC2CCCC2)n1
|
C24H34N6O2 438.576000 |
IHJZXCJKSRQJCM-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425861; PubChem:CID71553011
|
Local ready
Direct docking supported
|
|
E3L055626
BDB055626
|
BDBM50425862
Cc1cc(-c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)on1
|
C22H26Cl2N6O 461.397000 |
ZTSOUDMNSOYCTG-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425862; PubChem:CID71553154
|
Local ready
Direct docking supported
|
|
E3L055627
BDB055627
|
BDBM50425863
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2N[C@@H]2COC[C@H]2O)CC1
|
C21H26Cl2N6O3 481.384000 |
PIKLKDCPFVVYDK-QZTJIDSGSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425863; PubChem:CID71553152
|
Local ready
Direct docking supported
|
|
E3L055628
BDB055628
|
BDBM50425864
CN1CCC(NC(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)nc2NC2CCC(N(C)C)CC2)CC1
|
C25H35Cl2N7O 520.509000 |
SQKBBDOFPPNVCL-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425864; PubChem:CID71553085
|
Local ready
Direct docking supported
|
|
E3L055629
BDB055629
|
BDBM50425865
CN1CCC(NC(=O)c2cnc(NCc3cc(Cl)ccc3Cl)nc2NC2CCCC2)CC1
|
C23H30Cl2N6O 477.440000 |
PRAFFLMXUBGHGX-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50425865; PubChem:CID71553012
|
Local ready
Direct docking supported
|
|
E3L055630
BDB055630
|
BDBM50426306
O=C1Nc2c(cccc2C(F)(F)F)C1=C1Nc2ccc(-c3nnn[nH]3)cc2C1=O
|
C18H9F3N6O2 398.304000 |
HNZZDUIPCICNLK-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426306
|
Local ready
Direct docking supported
|
|
E3L055631
BDB055631
|
BDBM50426307
N#Cc1ccc2c(c1)C(=O)/C(=C1/C(=O)Nc3c1cccc3C(F)(F)F)N2
|
C18H8F3N3O2 355.275000 |
KFSROFNHUIHUCE-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426307
|
Local ready
Direct docking supported
|
|
E3L055632
BDB055632
|
BDBM50426308
COC(=O)c1ccc2c(c1)C(=O)/C(=C1/C(=O)Nc3c1cccc3C(F)(F)F)N2
|
C19H11F3N2O4 388.301000 |
IDNCAECPRUAUFO-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426308
|
Local ready
Direct docking supported
|
|
E3L055633
BDB055633
|
BDBM50426309
COC(=O)c1ccc2c(c1)C(=O)/C(=C1/C(=O)Nc3c(Br)cccc31)N2
|
C18H11BrN2O4 399.200000 |
NYTOIQMFKVKANY-SQFISAMPSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426309
|
Local ready
Direct docking supported
|
|
E3L055634
BDB055634
|
BDBM50426310
COC(=O)c1ccc2c(c1)C(=O)/C(=C1/C(=O)Nc3ccccc31)N2
|
C18H12N2O4 320.304000 |
GXMHPKLQRZFIBA-PFONDFGASA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426310
|
Local ready
Direct docking supported
|
|
E3L055635
BDB055635
|
BDBM50426312
COC(=O)c1ccc2[nH]c(C3C(=O)Nc4ccccc43)c(N=O)c2c1
|
C18H13N3O4 335.319000 |
YKNBZWQTFVBMQX-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426312; PubChem:CID91900271
|
Local ready
Direct docking supported
|
|
E3L055636
BDB055636
|
BDBM50426313
O=Nc1c(C2C(=O)Nc3ccccc32)[nH]c2cc(C(=O)O)ccc12
|
C17H11N3O4 321.292000 |
GXCGJTJDQAHMQZ-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426313; PubChem:CID91900272
|
Local ready
Direct docking supported
|
|
E3L055637
BDB055637
|
BDBM50426314
O=C1Nc2ccccc2/C1=C1/Nc2ccc(C(=O)O)cc2C1=O
|
C17H10N2O4 306.277000 |
XTBZMVZULARPGA-YPKPFQOOSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB
BindingDB:BDBM50426314
|
Local ready
Direct docking supported
|
|
E3L055638
BDB055638
|
BDBM50426315
O=Nc1c(C2C(=O)Nc3c(Br)cccc32)[nH]c2cc(C(=O)O)ccc12
|
C17H10BrN3O4 400.188000 |
NJEJOGPXFFQZGI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426315; PubChem:CID91900273
|
Local ready
Direct docking supported
|
|
E3L055639
BDB055639
|
BDBM50426316
O=Nc1c(C2C(=O)Nc3c2cccc3C(F)(F)F)[nH]c2cc(C(=O)O)ccc12
|
C18H10F3N3O4 389.289000 |
GDXXWQNHNKGHNI-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426316; PubChem:CID91900274
|
Local ready
Direct docking supported
|
|
E3L055640
BDB055640
|
BDBM50426317
COC(=O)c1ccc2c(N=O)c(C3C(=O)Nc4c(Br)cccc43)[nH]c2c1
|
C18H12BrN3O4 414.215000 |
IORXLELOZPDJSV-UHFFFAOYSA-N | Q92630 | Dual specificity tyrosine-phosphorylation-regulated kinase 2 |
BindingDB, PubChem
BindingDB:BDBM50426317; PubChem:CID91900275
|
Local ready
Direct docking supported
|