| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057301
BDB057301
|
BDBM50465647
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1
|
C29H32F2N6O5S 614.675000 |
OJNVAHCYXGMTQI-LGIRGXTLSA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50465647
|
Local ready
Direct docking supported
|
|
E3L057302
BDB057302
|
BDBM50465648
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1
|
C29H36N5O5P 565.611000 |
WUBYWMCSLYLAKN-QOAWAWRESA-N | P98170, Q13489, Q13490 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50465648; PubChem:CID142585375
|
Local ready
Direct docking supported
|
|
E3L057303
BDB057303
|
BDBM50465649
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1Cc2ccccc2C1)C(C)C
|
C23H34N4O3 414.550000 |
JGLUJZLLQORWAL-YSSFQJQWSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465649; PubChem:CID145992849
|
Local ready
Direct docking supported
|
|
E3L057304
BDB057304
|
BDBM50465650
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1CCc2c(F)cccc21)C(C)C
|
C23H33FN4O3 432.540000 |
GQTNTGLNZICNGI-LODLNTTPSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465650; PubChem:CID145982227
|
Local ready
Direct docking supported
|
|
E3L057305
BDB057305
|
BDBM50465651
CN[C@@H](C)C(=O)N[C@@H](Cc1cc(Cl)cc(C(F)(F)F)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H33ClF3N5O4 596.050000 |
HSDQXZNKOIMNHX-KKPKCPPISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50465651
|
Local ready
Direct docking supported
|
|
E3L057306
BDB057306
|
Me-Ala-Phe(4-NO2)-Pro-Phe-NH2
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C27H34N6O6 538.605000 |
CDAWWHNORHRVBI-ZMVGRULKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465652; PubChem:CID145993993
|
Local ready
Direct docking supported
|
|
E3L057307
BDB057307
|
Me-Ala-Dab-Pro-Phe-NH2
CN[C@@H](C)C(=O)N[C@@H](CCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C22H34N6O4 446.552000 |
VYQKLVPRVBCICS-DKIMLUQUSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465653; PubChem:CID145992881
|
Local ready
Direct docking supported
|
|
E3L057308
BDB057308
|
Me-Ala-Tyr(CF3)(CF3)-Pro-Phe-NH2
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H34F3N5O5 577.604000 |
QIUYQAWFJUWBSO-ZMVGRULKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465654; PubChem:CID145979941
|
Local ready
Direct docking supported
|
|
E3L057309
BDB057309
|
BDBM50465655
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@@H]1c1cncc(Cc2ccccc2)n1)C(C)C
|
C24H33N5O2 423.561000 |
WCJCIRTWGHATEO-WTOYTKOKSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50465655; PubChem:CID145992698
|
Local ready
Direct docking supported
|
|
E3L057310
BDB057310
|
BDBM50465656
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)c(F)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O
|
C28H33F4N5O4 579.595000 |
RSSDSGGCKFHFKU-KKPKCPPISA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50465656
|
Local ready
Direct docking supported
|
|
E3L057311
BDB057311
|
BDBM50466210
COCCN[C@H]1CC[C@H](Nc2cc(-c3csc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
|
C24H33ClN6O2S 505.088000 |
XSDZPPRQLIZLDG-IYARVYRRSA-N | P51948 | Cyclin-H |
BindingDB
BindingDB:BDBM50466210
|
Local ready
Direct docking supported
|
|
E3L057312
BDB057312
|
Azemiglitazone
COc1cccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1
|
C19H17NO5S 371.414000 |
YAUMOGALQJYOJQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466687; PubChem:CID25230266
|
Local ready
Direct docking supported
|
|
E3L057313
BDB057313
|
BDBM50466688
COc1cccc([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1
|
C19H19NO5S 373.430000 |
GTVRJNNFXVMASB-TZHYSIJRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466688; PubChem:CID46911745
|
Local ready
Direct docking supported
|
|
E3L057314
BDB057314
|
BDBM50466689
CCc1ccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
|
C19H20N2O4S 372.446000 |
RMTFRGFLVHAYCI-BHWOMJMDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466689; PubChem:CID23651403
|
Local ready
Direct docking supported
|
|
E3L057315
BDB057315
|
BDBM50466690
CCc1ccc([C@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)nc1
|
C19H20N2O4S 372.446000 |
RMTFRGFLVHAYCI-TZHYSIJRSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466690; PubChem:CID23651402
|
Local ready
Direct docking supported
|
|
E3L057316
BDB057316
|
BDBM50466691
O=C1NC(=O)C(Cc2ccc(OCC(=O)c3ccccc3)cc2)S1
|
C18H15NO4S 341.388000 |
CBSOPWMHWCBQLT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466691; PubChem:CID25206537
|
Local ready
Direct docking supported
|
|
E3L057317
BDB057317
|
BDBM50466692
COc1cccc([C@@H](O)COc2ccc(CC3SC(=O)NC3=O)cc2)c1
|
C19H19NO5S 373.430000 |
GTVRJNNFXVMASB-BHWOMJMDSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466692; PubChem:CID46911693
|
Local ready
Direct docking supported
|
|
E3L057318
BDB057318
|
BDBM50466693
CCc1ccc(C(=O)COc2ccc(CC3SC(=O)NC3=O)cc2)cc1
|
C20H19NO4S 369.442000 |
QGXZMULGONVASD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50466693; PubChem:CID88928909
|
Local ready
Direct docking supported
|
|
E3L057319
BDB057319
|
BDBM50466801
Cc1[nH][n+](C)c2c1-c1cnc(N)c(c1)O[C@H](C)c1cc(F)ccc1C(=O)N(C)C2
|
C21H23FN5O2+ 396.446000 |
ASQDMAQHZGURLM-GFCCVEGCSA-O | Q9HC35 | ALK tyrosine kinase receptor |
BindingDB, PubChem
BindingDB:BDBM50466801; PubChem:CID145992021
|
Local ready
Direct docking supported
|
|
E3L057320
BDB057320
|
BDBM50466802
O=C(Nc1cccc(Cl)c1)NC1NC=C(CCNc2ncnc3sccc23)S1
|
C18H17ClN6OS2 432.962000 |
XQNMCONHYXAHKS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50466802; PubChem:CID145984893
|
Local ready
Direct docking supported
|