| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L062581
BDB062581
|
BDBM50603561
Clc1ccc2nc(-c3ccc(Br)cc3)nn2c1
|
C12H7BrClN3 308.566000 |
QQYRFVVXPQXINM-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603561; PubChem:CID117128051
|
Local ready
Direct docking supported
|
|
E3L062582
BDB062582
|
BDBM50603562
Cc1ccc2nc(-c3ccc(Br)cc3)nn2c1
|
C13H10BrN3 288.148000 |
SIIURXZERGCUNT-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603562; PubChem:CID82566416
|
Local ready
Direct docking supported
|
|
E3L062583
BDB062583
|
BDBM50603563
N#Cc1ccc2nc(-c3ccc(Br)cc3)nn2c1
|
C13H7BrN4 299.131000 |
MVMAFHOUFGMTQD-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603563; PubChem:CID82567322
|
Local ready
Direct docking supported
|
|
E3L062584
BDB062584
|
BDBM50603564
Brc1ccc(-c2nc3ccc(-c4ccccc4)cn3n2)cc1
|
C18H12BrN3 350.219000 |
BCVBKHVJUXTMKP-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603564; PubChem:CID168288114
|
Local ready
Direct docking supported
|
|
E3L062585
BDB062585
|
2-(4-Bromophenyl)-[1,2,4]triazolo[1,5-b]isoquinoline
Brc1ccc(-c2nc3cc4ccccc4cn3n2)cc1
|
C16H10BrN3 324.181000 |
JOOQDESTDDXJFW-UHFFFAOYSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603565; PubChem:CID168282952
|
Local ready
Direct docking supported
|
|
E3L062586
BDB062586
|
Tapinarof
CC(C)c1c(O)cc(/C=C/c2ccccc2)cc1O
|
C17H18O2 254.329000 |
ZISJNXNHJRQYJO-CMDGGOBGSA-N | P35869 | Aryl hydrocarbon receptor |
BindingDB, PubChem
BindingDB:BDBM50603566; PubChem:CID6439522
|
Local ready
Direct docking supported
|
|
E3L062587
BDB062587
|
PROTAC SOS1 degrader-1
Cc1cc(Cn2c(N3CC4(CNC4)C3)nc3c(N4CCN(CCCCCCCCC(=O)N[C@H](C(=O)N5C[C@H](O)C[C@H]5C(=O)N[C@@H](C)c5ccc(-c6scnc6C)cc5)C(C)(C)C)CC4)cc(Cl)cc32)cc(C)c1F
|
C57H76ClFN10O4S 1051.819000 |
AZBRWXRYNYEDKG-VWELVXIZSA-N | Q15369 | Elongin-C |
BindingDB, PubChem
BindingDB:BDBM50604004; PubChem:CID163409083
|
Local ready
Direct docking supported
|
|
E3L062588
BDB062588
|
BDBM50604536
O=C(NC(CSCc1ccc(Cc2ccc(Cl)cc2)cc1)C(=O)O)OCc1ccccc1
|
C25H24ClNO4S 469.990000 |
GUTYLTIONPNDOX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604536; PubChem:CID168277635
|
Local ready
Direct docking supported
|
|
E3L062589
BDB062589
|
BDBM50604537
O=C(NC(CSCc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O)OCc1ccccc1
|
C24H22ClNO4S 455.963000 |
KYYZOTUVRQFMLA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604537; PubChem:CID168285368
|
Local ready
Direct docking supported
|
|
E3L062590
BDB062590
|
BDBM50604538
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc(C(F)(F)F)cc2)cc1)C(=O)O
|
C23H24F3NO5S 483.508000 |
DMRVIUSTUAUIHY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604538; PubChem:CID168289423
|
Local ready
Direct docking supported
|
|
E3L062591
BDB062591
|
BDBM50604539
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccc(Cl)cc2)cc1)C(=O)O
|
C22H24ClNO5S 449.956000 |
XMOGTWYLFCBPRK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604539; PubChem:CID168296425
|
Local ready
Direct docking supported
|
|
E3L062592
BDB062592
|
BDBM50604540
COc1ccc(C(=O)c2ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1
|
C23H27NO6S 445.537000 |
OVLCMNPIGKDDOH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604540; PubChem:CID168276011
|
Local ready
Direct docking supported
|
|
E3L062593
BDB062593
|
BDBM50604541
CC(C)(C)OC(=O)NC(CSCc1ccc(Cc2ccccc2)cc1)C(=O)O
|
C22H27NO4S 401.528000 |
WPXYXULJPWEGDM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50604541; PubChem:CID168295672
|
Local ready
Direct docking supported
|
|
E3L062594
BDB062594
|
BDBM50604542
CC(C)(C)OC(=O)NC(CSCc1ccc(-c2ccccc2)cc1)C(=O)O
|
C21H25NO4S 387.501000 |
CFFZTDAOYAEEJH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604542; PubChem:CID21904147
|
Local ready
Direct docking supported
|
|
E3L062595
BDB062595
|
BDBM50604543
CC(C)(C)OC(=O)NC(CSCc1ccc(/C=C/C(=O)c2ccccc2)cc1)C(=O)O
|
C24H27NO5S 441.549000 |
PJZOCKKESNTJIM-BUHFOSPRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604543; PubChem:CID168269638
|
Local ready
Direct docking supported
|
|
E3L062596
BDB062596
|
BDBM50604544
Cc1ccc(C(=O)c2ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc2)cc1
|
C23H27NO5S 429.538000 |
FNYOMDSTRWAGQZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604544; PubChem:CID168286928
|
Local ready
Direct docking supported
|
|
E3L062597
BDB062597
|
BDBM50604545
CC(C)(C)OC(=O)NC(CSCc1ccccc1)C(=O)O
|
C15H21NO4S 311.403000 |
IFVORPLRHYROAA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50604545; PubChem:CID294895
|
Local ready
Direct docking supported
|
|
E3L062598
BDB062598
|
BDBM50604546
CC(C)(C)OC(=O)N[C@@H](CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
C22H25NO5S 415.511000 |
JEFUTBWRCLLDDI-SFHVURJKSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604546; PubChem:CID168287564
|
Local ready
Direct docking supported
|
|
E3L062599
BDB062599
|
S-(4-Benzoylbenzyl)-N-(tert-butoxycarbonyl)cysteine
CC(C)(C)OC(=O)NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O
|
C22H25NO5S 415.511000 |
JEFUTBWRCLLDDI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604547; PubChem:CID384901
|
Local ready
Direct docking supported
|
|
E3L062600
BDB062600
|
BDBM50604548
O=C(NC(CSCc1ccc(C(=O)c2ccccc2)cc1)C(=O)O)OCc1ccccc1
|
C25H23NO5S 449.528000 |
DFIHXRYJEREANA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50604548; PubChem:CID168285498
|
Local ready
Direct docking supported
|