| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L058621
BDB058621
|
BDBM50513911
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCn2cnnc2C1
|
C21H17FN6O2 404.405000 |
LPTZKVHRKLZWJU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50513911; PubChem:CID56832632
|
Local ready
Direct docking supported
|
|
E3L058622
BDB058622
|
Stambp-IN-1
O=C(CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1)NCc1ccco1
|
C27H28N4O4S 504.612000 |
HBAWGWWMULJGHR-UHFFFAOYSA-N | O95630 | STAM-binding protein |
BindingDB, PubChem
BindingDB:BDBM50514117; PubChem:CID3293286
|
Local ready
Direct docking supported
|
|
E3L058623
BDB058623
|
Ldn-57444
CC(=O)O/N=C1\C(=O)N(Cc2cc(Cl)ccc2Cl)c2ccc(Cl)cc21
|
C17H11Cl3N2O3 397.645000 |
OPQRFPHLZZPCCH-PGMHBOJBSA-N | P09936 | Ubiquitin carboxyl-terminal hydrolase isozyme L1 |
BindingDB, PubChem
BindingDB:BDBM50514120; PubChem:CID16760696
|
Local ready
Direct docking supported
|
|
E3L058624
BDB058624
|
BDBM50514432
COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](NC(=O)c1ncn(-c3cccc(Cl)c3F)c1C)c1cc-2ccn1
|
C31H30ClFN6O4 605.070000 |
REWLFHBRHNXKCO-HXOBKFHXSA-N | P00748 | Coagulation factor XII |
BindingDB
BindingDB:BDBM50514432
|
Local ready
Direct docking supported
|
|
E3L058625
BDB058625
|
PF-477736
Cn1cc(-c2[nH]c3cc(NC(=O)[C@H](N)C4CCCCC4)cc4c3c2C=NNC4=O)cn1
|
C22H25N7O2 419.489000 |
NDEXUOWTGYUVGA-LJQANCHMSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50514649; PubChem:CID135565545
|
Local ready
Direct docking supported
|
|
E3L058626
BDB058626
|
BDBM50514824
CCCCC(Sc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O
|
C24H28N2O3S2 456.633000 |
LPBPHGWPSASLNX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514824; PubChem:CID155558276
|
Local ready
Direct docking supported
|
|
E3L058627
BDB058627
|
BDBM50514825
CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)cc2s1)C(=O)O
|
C27H28N2O4S3 540.732000 |
ZTKLMCIWOBIBEW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514825; PubChem:CID155517336
|
Local ready
Direct docking supported
|
|
E3L058628
BDB058628
|
BDBM50514826
CCCCCCC(Sc1nc2ccc(NCc3ccccc3)cc2s1)C(=O)O
|
C22H26N2O2S2 414.596000 |
IQXYNQBOHVNJHU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514826; PubChem:CID155566781
|
Local ready
Direct docking supported
|
|
E3L058629
BDB058629
|
BDBM50514827
CCCCCC[C@@H](Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(=O)O
|
C21H22Cl2N2O4S3 533.524000 |
GTNKAJJMCCFDIU-QGZVFWFLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514827; PubChem:CID145704693
|
Local ready
Direct docking supported
|
|
E3L058630
BDB058630
|
BDBM50514828
CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O
|
C25H32N2O4S3 520.742000 |
FWHILFHPRINYBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514828; PubChem:CID155562634
|
Local ready
Direct docking supported
|
|
E3L058631
BDB058631
|
BDBM50514829
CCCCCCC(Sc1nc2ccc(NCc3ccc(C(F)(F)F)cc3)cc2s1)C(=O)O
|
C23H25F3N2O2S2 482.593000 |
ZYBOERMXPJUKQI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514829; PubChem:CID155516325
|
Local ready
Direct docking supported
|
|
E3L058632
BDB058632
|
BDBM50514830
CCCCCCC(Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)O
|
C22H24N2O3S2 428.579000 |
RMJIUCRDOMPKSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514830; PubChem:CID155541727
|
Local ready
Direct docking supported
|
|
E3L058633
BDB058633
|
BDBM50514831
CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)cc3)cc2s1)C(=O)O
|
C22H25ClN2O2S2 449.041000 |
CPPHFQOKJIRVPB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514831; PubChem:CID155545482
|
Local ready
Direct docking supported
|
|
E3L058634
BDB058634
|
BDBM50514832
CCCCCCC(Sc1nc2ccc(NCc3cccc(Cl)c3)cc2s1)C(=O)O
|
C22H25ClN2O2S2 449.041000 |
FUXLANMZGULXBE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50514832; PubChem:CID155540534
|
Local ready
Direct docking supported
|
|
E3L058635
BDB058635
|
BDBM50514833
CCCCCCC(Sc1nc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2s1)C(=O)O
|
C22H24Cl2N2O2S2 483.486000 |
LBMJGOMXIVRABF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514833; PubChem:CID155518329
|
Local ready
Direct docking supported
|
|
E3L058636
BDB058636
|
BDBM50514834
CCCCCCC(Sc1nc2ccc(NCc3ccc4ccccc4c3)cc2s1)C(=O)O
|
C26H28N2O2S2 464.656000 |
NSUMQLGBRFQKCQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514834; PubChem:CID155551096
|
Local ready
Direct docking supported
|
|
E3L058637
BDB058637
|
BDBM50514835
CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2s1)C(=O)O
|
C21H23ClN2O4S3 499.079000 |
BJOXHGZHSVWGQV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514835; PubChem:CID155536991
|
Local ready
Direct docking supported
|
|
E3L058638
BDB058638
|
BDBM50514836
CCCCCCC(Sc1nc2ccc(NS(=O)(=O)c3ccc(Cl)cc3Cl)cc2s1)C(=O)O
|
C21H22Cl2N2O4S3 533.524000 |
GTNKAJJMCCFDIU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514836; PubChem:CID155532185
|
Local ready
Direct docking supported
|
|
E3L058639
BDB058639
|
BDBM50514837
CCCCCCC(Sc1nc2ccc(NCc3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O
|
C26H34N2O2S2 470.704000 |
VTZHZKSKRGBCPN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514837; PubChem:CID155527996
|
Local ready
Direct docking supported
|
|
E3L058640
BDB058640
|
BDBM50514838
CCCCCCC(Sc1nc2ccc(NCc3ccc(-c4ccccc4)cc3)cc2s1)C(=O)O
|
C28H30N2O2S2 490.694000 |
RRUJNTMVKIGGIB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50514838; PubChem:CID155530420
|
Local ready
Direct docking supported
|