| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L055601
BDB055601
|
BDBM50423908
Cc1cc(O[C@@H](Cc2ccccc2)C(=O)O)ccc1-c1ccccc1
|
C22H20O3 332.399000 |
RKLOUUBHZRRTMP-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423908; PubChem:CID71547108
|
Local ready
Direct docking supported
|
|
E3L055602
BDB055602
|
BDBM50423909
Cc1cc(-c2ccccc2)ccc1O[C@@H](Cc1ccccc1)C(=O)O
|
C22H20O3 332.399000 |
PXAKBMVJDKGHLM-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423909; PubChem:CID71547107
|
Local ready
Direct docking supported
|
|
E3L055603
BDB055603
|
BDBM50423910
O=C(O)C(Cc1ccccc1)Oc1ccc(-c2ccccc2CCc2ccccc2)cc1
|
C29H26O3 422.524000 |
QIHOPWMFPQWRBK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423910; PubChem:CID71544855
|
Local ready
Direct docking supported
|
|
E3L055604
BDB055604
|
2-[4-(2-Pentylphenyl)phenoxy]-3-phenylpropanoic acid
CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1
|
C26H28O3 388.507000 |
YYSHTCPHQZNNOT-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423911; PubChem:CID71544854
|
Local ready
Direct docking supported
|
|
E3L055605
BDB055605
|
3-Phenyl-2-[4-(2-propylphenyl)phenoxy]propanoic acid
CCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1
|
C24H24O3 360.453000 |
VQZHGVRISATOSM-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423912; PubChem:CID71544853
|
Local ready
Direct docking supported
|
|
E3L055606
BDB055606
|
BDBM50423913
CC(C)c1ccccc1-c1ccc(O[C@H](Cc2ccccc2)C(=O)O)cc1
|
C24H24O3 360.453000 |
LGZFNUULAZCXCA-HSZRJFAPSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50423913; PubChem:CID70680569
|
Local ready
Direct docking supported
|
|
E3L055607
BDB055607
|
4-Nitro-1-naphthol
O=[N+]([O-])c1ccc(O)c2ccccc12
|
C10H7NO3 189.170000 |
AUIRNGLMBHIITH-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B |
BindingDB, PubChem
BindingDB:BDBM50425036; PubChem:CID343829
|
Local ready
Direct docking supported
|
|
E3L055608
BDB055608
|
BDBM50425648
N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1
|
C43H51N9O6S 822.005000 |
VGPDGESAAIVXNO-QPPIDDCLSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50425648
|
Local ready
Direct docking supported
|
|
E3L055609
BDB055609
|
BDBM50425649
N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CN3CCN(CC3)CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N2)cc1
|
C41H47N9O6S 793.951000 |
KODRHCNJBWRWGP-MPQUPPDSSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50425649
|
Local ready
Direct docking supported
|
|
E3L055610
BDB055610
|
BDBM50425719
CCO[C@@H]1C[C@@H]2CN(C(=O)[C@@H](NC(=O)[C@H](C)NC)C3CCC(F)(F)CC3)[C@H](C(=O)N[C@@H]3CCOc4ccccc43)CN2C1
|
C31H45F2N5O5 605.727000 |
WQLHYSFOEZZZDD-QAPMSZJWSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50425719
|
Local ready
Direct docking supported
|
|
E3L055611
BDB055611
|
BDBM50425720
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2C[C@@H](O)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1
|
C29H41F2N5O5 577.673000 |
UPKLMAFQDXNFGT-NHBKWFJBSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50425720
|
Local ready
Direct docking supported
|
|
E3L055612
BDB055612
|
BDBM50425721
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CC(F)(F)CN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1
|
C29H39F4N5O4 597.654000 |
IXDGXZUXUMFSFB-JFJSIVICSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50425721
|
Local ready
Direct docking supported
|
|
E3L055613
BDB055613
|
BDBM50425722
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1
|
C29H41F2N5O4 561.674000 |
MLZKFPXFMPNAJV-IMZPRDNVSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50425722
|
Local ready
Direct docking supported
|
|
E3L055614
BDB055614
|
BDBM50425723
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCOCC1
|
C28H41N5O5 527.666000 |
QIXLDZYPVVGASB-HXMYXVSTSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50425723
|
Local ready
Direct docking supported
|
|
E3L055615
BDB055615
|
BDBM50425724
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCC(F)(F)CC1
|
C29H41F2N5O4 561.674000 |
MLZKFPXFMPNAJV-HXMYXVSTSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50425724
|
Local ready
Direct docking supported
|
|
E3L055616
BDB055616
|
BDBM50425725
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)c1ccccc1
|
C29H37N5O4 519.646000 |
YNXYDJIBNNPVNX-XFCBJTKFSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50425725; PubChem:CID50913337
|
Local ready
Direct docking supported
|
|
E3L055617
BDB055617
|
BDBM50425726
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(=O)c2ccccc21)C1CCCCC1
|
C30H43N5O4 537.705000 |
IGXOJMRPLSENQA-XXQBKKMUSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50425726
|
Local ready
Direct docking supported
|
|
E3L055618
BDB055618
|
BDBM50425727
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCC(F)(F)c2ccccc21)C1CCCCC1
|
C30H43F2N5O3 559.702000 |
VHNBFMMDAIXLPT-KXTXBCJOSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB
BindingDB:BDBM50425727
|
Local ready
Direct docking supported
|
|
E3L055619
BDB055619
|
BDBM50425728
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@H]2CCCN2C[C@H]1C(=O)N[C@@H]1CCOc2ccccc21)C1CCCCC1
|
C29H43N5O4 525.694000 |
GIAUJOMDUOPYLU-XFCBJTKFSA-N | P98170, Q13489 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 3 |
BindingDB, PubChem
BindingDB:BDBM50425728; PubChem:CID50913340
|
Local ready
Direct docking supported
|
|
E3L055620
BDB055620
|
BDBM50425729
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-DCZAUWNBSA-N | P98170, Q13489 | Baculoviral IAP repeat-containing protein 3, E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50425729
|
Local ready
Direct docking supported
|