| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L049461
BDB049461
|
BDBM50239420
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc32)[C@@H](CN2CCCC2=O)CN1
|
C28H35F2N5O2 511.617000 |
ZAODVPPYEXRUJI-XMSQKQJNSA-N | P98170 | E3 ubiquitin-protein ligase XIAP |
BindingDB, PubChem
BindingDB:BDBM50239420; PubChem:CID90232180
|
Local ready
Direct docking supported
|
|
E3L049462
BDB049462
|
BDBM50239421
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN2CCCC2=O)CN1
|
C28H36FN5O2 493.627000 |
PLUURWYWSCCXKK-AUSIDOKSSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50239421; PubChem:CID90232202
|
Local ready
Direct docking supported
|
|
E3L049463
BDB049463
|
BDBM50239422
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)O
|
C19H34N4O5 398.504000 |
YARBOBGBIYUVQB-YTFOTSKYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50239422; PubChem:CID10222526
|
Local ready
Direct docking supported
|
|
E3L049464
BDB049464
|
BDBM50239423
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(F)(F)c4ccccc4)cc32)[C@@H](CN2CCCC2=O)CN1
|
C28H35F2N5O2 511.617000 |
HWWPTUIPLTUDQJ-DENIHFKCSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50239423; PubChem:CID90232119
|
Local ready
Direct docking supported
|
|
E3L049465
BDB049465
|
BDBM50239424
CCCC(F)(F)c1cnc2c(c1)N(C(=O)CN1C[C@@H](C)NC[C@@H]1CN1CCCC1=O)CC2(C)C
|
C25H37F2N5O2 477.600000 |
OWKVMNZTKAZLGY-IEBWSBKVSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB, PubChem
BindingDB:BDBM50239424; PubChem:CID90232165
|
Local ready
Direct docking supported
|
|
E3L049466
BDB049466
|
6-Amino-1-ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CCn1c(N)cc(=O)[nH]c1=O
|
C6H9N3O2 155.157000 |
QHEMDIZENXAVRQ-UHFFFAOYSA-N | Q12830 | Nucleosome-remodeling factor subunit BPTF |
BindingDB, PubChem
BindingDB:BDBM50239563; PubChem:CID853899
|
Local ready
Direct docking supported
|
|
E3L049467
BDB049467
|
Apomorphine o-quinone
CN1CCc2cccc3c4c(cc1c23)C=CC(=O)C4=O
|
C17H13NO2 263.296000 |
DZZIOGKZAPZOCK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50240295; PubChem:CID10015619
|
Local ready
Direct docking supported
|
|
E3L049468
BDB049468
|
H-Leu-Thr-Phe-Glu-His-Tyr-Trp-Ala-Gln-Leu-Thr-Ser-NH2
CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(N)=O)[C@@H](C)O
|
C71H99N17O19 1494.673000 |
JZLDUGZOHRDLMR-MQEOCOHRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50240296; PubChem:CID137653137
|
Local ready
Direct docking supported
|
|
E3L049469
BDB049469
|
9,12,15-cis-Octadecatrienoic acid
CCC=CCC=CC/C=C\CCCCCCCC(=O)O
|
C18H30O2 278.436000 |
DTOSIQBPPRVQHS-NKIRVBODSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50240347; PubChem:CID445640
|
Local ready
Direct docking supported
|
|
E3L049470
BDB049470
|
Anacardic Acid
CCCCCCCCCCCCCCCc1cccc(O)c1C(=O)O
|
C22H36O3 348.527000 |
ADFWQBGTDJIESE-UHFFFAOYSA-N | P37231, Q07869, Q09472, Q92831 | Histone acetyltransferase p300, Histone acetyltransferase KAT2B, Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50240436; PubChem:CID167551
|
Local ready
Direct docking supported
|
|
E3L049471
BDB049471
|
Mifobate
COP(=O)(OC)OC(c1ccc(Cl)cc1)P(=O)(OC)OC
|
C11H17ClO7P2 358.651000 |
VQHUQHAPWMNBLP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50240444; PubChem:CID60910
|
Local ready
Direct docking supported
|
|
E3L049472
BDB049472
|
Trp-Glu
N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(=O)O)C(=O)O
|
C16H19N3O5 333.344000 |
PWIQCLSQVQBOQV-AAEUAGOBSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50240464; PubChem:CID7009663
|
Local ready
Direct docking supported
|
|
E3L049473
BDB049473
|
Stearic Acid
CCCCCCCCCCCCCCCCCC(=O)O
|
C18H36O2 284.484000 |
QIQXTHQIDYTFRH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50240485; PubChem:CID5281
|
Local ready
Direct docking supported
|
|
E3L049474
BDB049474
|
BDBM50240586
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)c1ccccc1)CC[C@H]2C(=O)N[C@H](C(=O)NCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1
|
C45H55N9O5 801.993000 |
YEVVNGCYGSNANK-JMGPKLEYSA-N | P98170, Q13490 | E3 ubiquitin-protein ligase XIAP, Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50240586
|
Local ready
Direct docking supported
|
|
E3L049475
BDB049475
|
BDBM50240587
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C46H57N9O5 816.020000 |
JTXRTFXANHGCBX-PZOHKCEOSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50240587
|
Local ready
Direct docking supported
|
|
E3L049476
BDB049476
|
BDBM50240588
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CCCCCCCCCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C54H73N9O5 928.236000 |
YALDJLQKTJMMHH-ZSOGPSSESA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50240588
|
Local ready
Direct docking supported
|
|
E3L049477
BDB049477
|
BDBM50240589
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C43H52N8O4 744.941000 |
BNYYCCFVGJGUPF-QBWLCKSBSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50240589
|
Local ready
Direct docking supported
|
|
E3L049478
BDB049478
|
BDBM50240592
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CNC(=O)COCCOCCNC(=O)CN(Cc1ccccn1)Cc1ccccn1)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1
|
C49H63N9O7 890.099000 |
RDXYKWDWLUKGKW-OXQSLEPPSA-N | Q13490 | Baculoviral IAP repeat-containing protein 2 |
BindingDB
BindingDB:BDBM50240592
|
Local ready
Direct docking supported
|
|
E3L049479
BDB049479
|
2-Phenylisothiazol-3(2H)-one
O=c1ccsn1-c1ccccc1
|
C9H7NOS 177.228000 |
VFUQPOSQUAVDEZ-UHFFFAOYSA-N | Q09472, Q92831 | Histone acetyltransferase KAT2B, Histone acetyltransferase p300 |
BindingDB, PubChem
BindingDB:BDBM50240683; PubChem:CID11052198
|
Local ready
Direct docking supported
|
|
E3L049480
BDB049480
|
BDBM50240768
COC(=O)C1Cc2ccc(OCCc3nc(-c4ccccc4)oc3C)cc2OC1=O
|
C23H21NO6 407.422000 |
JRQPPTMEDCUEQR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50240768; PubChem:CID11742116
|
Local ready
Direct docking supported
|