| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046181
BDB046181
|
BDBM50124392
CCCc1c(OCCCCOc2ccc(OC(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12
|
C29H31NO6 489.568000 |
OMZLWUCIRCWAKE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50124392; PubChem:CID44384589
|
Local ready
Direct docking supported
|
|
E3L046182
BDB046182
|
BDBM50124393
CCCc1c(OCCOc2ccc(CCCC(=O)O)cc2)ccc2c(-c3ccccc3)noc12
|
C28H29NO5 459.542000 |
XNGZNUAVYKUZJL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50124393; PubChem:CID44384403
|
Local ready
Direct docking supported
|
|
E3L046183
BDB046183
|
BDBM50124394
CCCc1c(OCCCCOc2ccc(OC(C)(C)C(=O)O)cc2)ccc2c(-c3ccccc3)noc12
|
C30H33NO6 503.595000 |
YJTYFVIOMCEYTG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50124394; PubChem:CID44384419
|
Local ready
Direct docking supported
|
|
E3L046184
BDB046184
|
BDBM50124395
CCCc1c(OCCCCOc2ccc(C(=O)O)cc2)ccc2c(-c3ccccc3)noc12
|
C27H27NO5 445.515000 |
VFUIUWFGLWYTFT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50124395; PubChem:CID44384224
|
Local ready
Direct docking supported
|
|
E3L046185
BDB046185
|
BDBM50124947
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CSSC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
|
C67H104N18O18S2 1513.811000 |
QQBRBPSSMDPLLA-GECFALDLSA-N | P00748 | Coagulation factor XII |
BindingDB, PubChem
BindingDB:BDBM50124947; PubChem:CID24776379
|
Local ready
Direct docking supported
|
|
E3L046186
BDB046186
|
L-165461
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)noc12
|
C23H26ClNO4S 447.984000 |
LBEYMGDIPDOUKK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50126016; PubChem:CID9889841
|
Local ready
Direct docking supported
|
|
E3L046187
BDB046187
|
BDBM50126017
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(CC)coc12
|
C24H27ClO4S 446.996000 |
BUVKCKNQUOBUGZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50126017; PubChem:CID44458943
|
Local ready
Direct docking supported
|
|
E3L046188
BDB046188
|
L-783483
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc2c(C(F)(F)F)noc12
|
C22H21ClF3NO4S 487.927000 |
TZBRFAASYWFUGK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50126018; PubChem:CID9935197
|
Local ready
Direct docking supported
|
|
E3L046189
BDB046189
|
BDBM50126019
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(CC)N=O)c1O
|
C23H28ClNO5S 465.999000 |
AOZBFWAQAAPDJV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50126019; PubChem:CID53654523
|
Local ready
Direct docking supported
|
|
E3L046190
BDB046190
|
BDBM50126020
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(=O)CC)c1O
|
C23H27ClO5S 450.984000 |
MMUPKVYIRSGJIV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50126020; PubChem:CID17894542
|
Local ready
Direct docking supported
|
|
E3L046191
BDB046191
|
BDBM50126021
CCCc1c(OCCCSc2ccc(CC(=O)O)cc2Cl)ccc(C(C)=O)c1O
|
C22H25ClO5S 436.957000 |
ZOLCKIDHVSAZBR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50126021; PubChem:CID44458859
|
Local ready
Direct docking supported
|
|
E3L046192
BDB046192
|
BDBM50126112
CC(C)C[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)O
|
C73H110N16O22 1563.773000 |
CKSRAOBUGISLEI-WYDXDUKVSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126112; PubChem:CID122192877
|
Local ready
Direct docking supported
|
|
E3L046193
BDB046193
|
BDBM50126113
CC(C)(C)OC(=O)Nc1ccc(-c2cn(CCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)nn2)cc1
|
C33H35N5O6 597.672000 |
WSTXXFRRXUUZFV-NDEPHWFRSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126113; PubChem:CID122192876
|
Local ready
Direct docking supported
|
|
E3L046194
BDB046194
|
BDBM50126114
Cc1ccc(-c2cn(CCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)nn2)cc1
|
C29H28N4O4 496.567000 |
WUUBAZLFFIBOOY-SANMLTNESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126114; PubChem:CID122192870
|
Local ready
Direct docking supported
|
|
E3L046195
BDB046195
|
BDBM50126115
O=C(N[C@@H](CCCn1cc(-c2ccc(C(F)(F)F)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21
|
C29H25F3N4O4 550.537000 |
OEFVQIUYYWZFFZ-VWLOTQADSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126115; PubChem:CID122192871
|
Local ready
Direct docking supported
|
|
E3L046196
BDB046196
|
BDBM50126117
O=C(N[C@@H](CCCn1cc(-c2ccc(Br)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21
|
C28H25BrN4O4 561.436000 |
LYHKQAFVCYVOFB-VWLOTQADSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126117; PubChem:CID122192873
|
Local ready
Direct docking supported
|
|
E3L046197
BDB046197
|
BDBM50126118
O=C(N[C@@H](CCCn1cc(-c2ccc(I)cc2)nn1)C(=O)O)OCC1c2ccccc2-c2ccccc21
|
C28H25IN4O4 608.436000 |
JGNDLRZJCLANMH-VWLOTQADSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126118; PubChem:CID122192874
|
Local ready
Direct docking supported
|
|
E3L046198
BDB046198
|
BDBM50126119
COc1ccc(-c2cn(CCC[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)nn2)cc1
|
C29H28N4O5 512.566000 |
YIYDPFAVOAOMAW-SANMLTNESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50126119; PubChem:CID122192875
|
Local ready
Direct docking supported
|
|
E3L046199
BDB046199
|
7-Fluoro-1,2,3,4-tetrahydroisoquinolin-1-one
O=C1NCCc2ccc(F)cc21
|
C9H8FNO 165.167000 |
YEFGFHFWYZFNDW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50126163; PubChem:CID17792611
|
Local ready
Direct docking supported
|
|
E3L046200
BDB046200
|
7-Chloro-1,2,3,4-tetrahydroisoquinolin-1-one
O=C1NCCc2ccc(Cl)cc21
|
C9H8ClNO 181.622000 |
NMZRTRAYSHQMPR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50126164; PubChem:CID18672397
|
Local ready
Direct docking supported
|