| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049121
BDB049121
|
BDBM50233422
CN[C@@H](C)C(=O)N[C@H](C(=O)NC(Cc1ccc(NC(=O)c2ccc(C(=O)NC3C[C@@H](C(=O)N[C@@H]4CCCc5ccccc54)N(C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C)C3)cc2)cc1)C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C62H82N10O8 1095.400000 |
RNVIWNVYVQASOF-XSSUDMEMSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50233422
|
Local ready
Direct docking supported
|
|
E3L049122
BDB049122
|
BDBM50233423
CN[C@@H](C)C(=O)N[C@H](C(=O)N1C[C@@H](c2ccc(CC(NC(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)SCC(=O)N(C)C[C@@H](O)CO)C(=O)N[C@@H]3CCCc4ccccc43)cc2)C[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C
|
C59H85N9O9S 1096.450000 |
BNCDRNJTEQWAGP-ZBGDRUDCSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB
BindingDB:BDBM50233423
|
Local ready
Direct docking supported
|
|
E3L049123
BDB049123
|
BDBM50234372
CCO[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O
|
C32H38N2O5 530.665000 |
XPMZAYBVAONKQR-KMUWCEIDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50234372; PubChem:CID44447163
|
Local ready
Direct docking supported
|
|
E3L049124
BDB049124
|
BDBM50234373
CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(N=O)c4ccccc4)ccc32)cc1)OCC
|
C33H40N2O5 544.692000 |
KTJYLRSVMUUKRS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50234373; PubChem:CID90989054
|
Local ready
Direct docking supported
|
|
E3L049125
BDB049125
|
BDBM50234374
CCOC(=O)[C@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC
|
C34H42N2O5 558.719000 |
LOIPZYXFUYLDKZ-NRFMNZLYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50234374; PubChem:CID44447160
|
Local ready
Direct docking supported
|
|
E3L049126
BDB049126
|
BDBM50234375
CCO[C@@H](Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O
|
C32H38N2O5 530.665000 |
XPMZAYBVAONKQR-HEUQYUJVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50234375; PubChem:CID25008799
|
Local ready
Direct docking supported
|
|
E3L049127
BDB049127
|
BDBM50234376
COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(N=O)c4ccccc4)ccc32)cc1)C(=O)OC
|
C32H36N2O6 544.648000 |
FNORSYDEHFXZIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50234376; PubChem:CID91935533
|
Local ready
Direct docking supported
|
|
E3L049128
BDB049128
|
BDBM50234377
CCOC(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)C(=O)O
|
C32H38N2O5 530.665000 |
XPMZAYBVAONKQR-MEIHLTSWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50234377; PubChem:CID44447162
|
Local ready
Direct docking supported
|
|
E3L049129
BDB049129
|
BDBM50234378
CCOC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(/C(=N\OC)c4ccccc4)ccc32)cc1)OCC
|
C34H42N2O5 558.719000 |
LOIPZYXFUYLDKZ-JCUPVDEDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50234378; PubChem:CID44447159
|
Local ready
Direct docking supported
|
|
E3L049130
BDB049130
|
BDBM50234379
COC(=O)C(Cc1ccc(OCCN2CCC(C)(C)c3cc(C(=O)c4ccccc4)ccc32)cc1)C(=O)OC
|
C32H35NO6 529.633000 |
CVIKEWAIJWFFBW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50234379; PubChem:CID44447156
|
Local ready
Direct docking supported
|
|
E3L049131
BDB049131
|
1-Methylbenzotriazole
Cn1nnc2ccccc21
|
C7H7N3 133.154000 |
HXQHRUJXQJEGER-UHFFFAOYSA-N | Q14145 | Kelch-like ECH-associated protein 1 |
BindingDB, PubChem
BindingDB:BDBM50234617; PubChem:CID25902
|
Local ready
Direct docking supported
|
|
E3L049132
BDB049132
|
MDM2-p53 inhibitor AD-227
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(OCc2ccccc2F)cc1
|
C32H32ClFN6O3 603.098000 |
UTAPGZSFNPYXQF-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234663; PubChem:CID137634060
|
Local ready
Direct docking supported
|
|
E3L049133
BDB049133
|
BDBM50234664
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCC1)c1nnnn1-c1cccc(OCc2ccccc2)c1
|
C29H27ClN6O3 543.027000 |
MFZMGKJFFPGEKX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234664; PubChem:CID137632191
|
Local ready
Direct docking supported
|
|
E3L049134
BDB049134
|
BDBM50234665
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCCC1)c1nnnn1-c1cccc(OCc2ccccc2)c1
|
C30H29ClN6O3 557.054000 |
JVQTWBSTLSHXAS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234665; PubChem:CID137656185
|
Local ready
Direct docking supported
|
|
E3L049135
BDB049135
|
BDBM50234666
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCCCC1)c1nnnn1-c1ccc(OCc2ccccc2)cc1
|
C31H31ClN6O3 571.081000 |
IJZAJTKYRRYYAX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234666; PubChem:CID137641635
|
Local ready
Direct docking supported
|
|
E3L049136
BDB049136
|
BDBM50234667
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NC1CCCCC1)c1nnnn1-c1ccc(OCc2ccccc2)cc1
|
C30H29ClN6O3 557.054000 |
XIOMVAXTYYYDFP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234667; PubChem:CID137634976
|
Local ready
Direct docking supported
|
|
E3L049137
BDB049137
|
BDBM50234668
CCCCCNC(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1nnnn1Cc1ccc(Cl)cc1
|
C23H24Cl2N6O2 487.391000 |
WOPGIPLMACKABG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234668; PubChem:CID137661851
|
Local ready
Direct docking supported
|
|
E3L049138
BDB049138
|
BDBM50234669
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1Cc1ccc(Cl)cc1
|
C25H26Cl2N6O2 513.429000 |
CQGKMCOGFBQJTG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234669; PubChem:CID137639702
|
Local ready
Direct docking supported
|
|
E3L049139
BDB049139
|
BDBM50234670
CCCCCNC(c1c(C(=O)O)[nH]c2cc(Cl)ccc12)c1nnnn1-c1ccc(F)c(Cl)c1
|
C22H21Cl2FN6O2 491.354000 |
UTLUVBFDDDRHRZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234670; PubChem:CID137634792
|
Local ready
Direct docking supported
|
|
E3L049140
BDB049140
|
BDBM50234671
O=C(O)c1[nH]c2cc(Cl)ccc2c1C(NCC1CCCCC1)c1nnnn1-c1ccc(F)c(Cl)c1
|
C24H23Cl2FN6O2 517.392000 |
ZAYCJPXXXCHNCQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50234671; PubChem:CID137645827
|
Local ready
Direct docking supported
|