| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L051441
BDB051441
|
BDBM50299268
CC(Sc1nc2ccc(Br)cc2s1)C(=O)O
|
C10H8BrNO2S2 318.217000 |
QMYQUPKLDISZDZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299268; PubChem:CID44479187
|
Local ready
Direct docking supported
|
|
E3L051442
BDB051442
|
(R)-2-(5-chlorobenzo[d]thiazol-2-ylthio)propanoic acid
C[C@@H](Sc1nc2cc(Cl)ccc2s1)C(=O)O
|
C10H8ClNO2S2 273.766000 |
QTSNMZSKXHZAQF-RXMQYKEDSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299269; PubChem:CID44479442
|
Local ready
Direct docking supported
|
|
E3L051443
BDB051443
|
7-Hydroxy-3',5'-dimethoxyisoflavone
COc1cc(OC)cc(-c2coc3cc(O)ccc3c2=O)c1
|
C17H14O5 298.294000 |
WSSNVJXVWRIBQI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299413; PubChem:CID11208735
|
Local ready
Direct docking supported
|
|
E3L051444
BDB051444
|
Pseudobaptigenin
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(O)ccc12
|
C16H10O5 282.251000 |
KNJNBKINYHZUGC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50299414; PubChem:CID5281805
|
Local ready
Direct docking supported
|
|
E3L051445
BDB051445
|
4'-Fluoro-7-hydroxyisoflavone
O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12
|
C15H9FO3 256.232000 |
QSPKURPSCTYUBO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299415; PubChem:CID5310669
|
Local ready
Direct docking supported
|
|
E3L051446
BDB051446
|
7-hydroxy-3-(3-methoxyphenyl)-4H-chromen-4-one
COc1cccc(-c2coc3cc(O)ccc3c2=O)c1
|
C16H12O4 268.268000 |
SVIVXHGAPCFWCS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50299416; PubChem:CID5715241
|
Local ready
Direct docking supported
|
|
E3L051447
BDB051447
|
BDBM50299823
Brc1ccc([C@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(Br)cc4)C32)cc1
|
C24H16Br2N4O 536.227000 |
QPXRCZHBVPKXPC-XGELLPRESA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50299823; PubChem:CID91934128
|
Local ready
Direct docking supported
|
|
E3L051448
BDB051448
|
BDBM50300005
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccccc5n4)cc3)nc12
|
C21H15N5O 353.385000 |
PFOGOBQDGBABTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300005; PubChem:CID44542060
|
Local ready
Direct docking supported
|
|
E3L051449
BDB051449
|
BDBM50300006
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccc(C(F)(F)F)cc5n4)cc3)nc12
|
C22H14F3N5O 421.382000 |
CBUDZRHMZVXEGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300006; PubChem:CID44541771
|
Local ready
Direct docking supported
|
|
E3L051450
BDB051450
|
BDBM50300007
Cc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C17H13N5O2 319.324000 |
BPNJEMFERBFYRB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300007; PubChem:CID44541772
|
Local ready
Direct docking supported
|
|
E3L051451
BDB051451
|
BDBM50300008
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnco4)cc3)nc12
|
C16H11N5O2 305.297000 |
RCTUBJYYTJDPNN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300008; PubChem:CID44473424
|
Local ready
Direct docking supported
|
|
E3L051452
BDB051452
|
BDBM50300009
NC(=O)c1cccc2[nH]c(-c3ccc(-c4n[nH]c(=O)o4)cc3)nc12
|
C16H11N5O3 321.296000 |
WTEFBFCLSKUJIB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300009; PubChem:CID44542063
|
Local ready
Direct docking supported
|
|
E3L051453
BDB051453
|
BDBM50300010
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=O)s[nH]4)cc3)nc12
|
C16H11N5O2S 337.364000 |
QEBFEDZTAJTWJK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300010; PubChem:CID135927942
|
Local ready
Direct docking supported
|
|
E3L051454
BDB051454
|
BDBM50300011
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nc(=S)o[nH]4)cc3)nc12
|
C16H11N5O2S 337.364000 |
RCROQKUWCBPYHE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300011; PubChem:CID44542363
|
Local ready
Direct docking supported
|
|
E3L051455
BDB051455
|
BDBM50300012
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccno4)cc3)nc12
|
C17H12N4O2 304.309000 |
QXCLDQKRNIGCLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300012; PubChem:CID44541918
|
Local ready
Direct docking supported
|
|
E3L051456
BDB051456
|
BDBM50300013
Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1
|
C18H15N5O 317.352000 |
NVDWIICXGMDHNM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300013; PubChem:CID44541919
|
Local ready
Direct docking supported
|
|
E3L051457
BDB051457
|
BDBM50300014
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12
|
C19H14N4O 314.348000 |
SNSYYJLSJTUZMP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300014; PubChem:CID44542066
|
Local ready
Direct docking supported
|
|
E3L051458
BDB051458
|
BDBM50300015
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cccnc4)cc3)nc12
|
C19H14N4O 314.348000 |
NFPIZUDTGKCWQL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300015; PubChem:CID44541920
|
Local ready
Direct docking supported
|
|
E3L051459
BDB051459
|
BDBM50300016
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12
|
C19H14N4O 314.348000 |
GTBYWKYWQWSPTR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300016; PubChem:CID44542366
|
Local ready
Direct docking supported
|
|
E3L051460
BDB051460
|
BDBM50300017
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12
|
C20H15N3O 313.360000 |
YTKLAAYEYWFEIM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50300017; PubChem:CID45484114
|
Local ready
Direct docking supported
|