| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047861
BDB047861
|
BDBM50188032
CCCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1)C(=O)O
|
C26H25F3N2O4 486.490000 |
SNELYVVCHDOVFP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188032; PubChem:CID10254845
|
Local ready
Direct docking supported
|
|
E3L047862
BDB047862
|
BDBM50188033
CCOC(Cc1ccc2c(c1)cc(C)n2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)O
|
C26H25F3N2O4 486.490000 |
VHDZXMLOJYTMRT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188033; PubChem:CID10096907
|
Local ready
Direct docking supported
|
|
E3L047863
BDB047863
|
BDBM50188034
CCOC(Cc1ccc2c(c1)c(C)cn2Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1C)C(=O)O
|
C26H25F3N2O4 486.490000 |
KWGGIRZLUSNBCK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188034; PubChem:CID10480558
|
Local ready
Direct docking supported
|
|
E3L047864
BDB047864
|
BDBM50188035
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cccc(Cl)c3)oc2C)c1)C(=O)O
|
C24H23ClN2O4 438.911000 |
HMMQETYZLNQVSF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188035; PubChem:CID9980586
|
Local ready
Direct docking supported
|
|
E3L047865
BDB047865
|
BDBM50188036
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3F)oc2C)c1)C(=O)O
|
C24H23FN2O4 422.456000 |
OEAWGOQTYLNWOU-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188036; PubChem:CID10409988
|
Local ready
Direct docking supported
|
|
E3L047866
BDB047866
|
BDBM50188037
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(Cl)cc(Cl)c3)oc2C)c1)C(=O)O
|
C24H22Cl2N2O4 473.356000 |
RQMKNZHMAWCBJL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188037; PubChem:CID10344769
|
Local ready
Direct docking supported
|
|
E3L047867
BDB047867
|
BDBM50188038
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3cc(C)cc(C)c3)oc2C)c1)C(=O)O
|
C26H28N2O4 432.520000 |
DSKLBNZCCNQVBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188038; PubChem:CID10455511
|
Local ready
Direct docking supported
|
|
E3L047868
BDB047868
|
BDBM50188039
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1Cn1ccc2cc(CC(OC(C)C)C(=O)O)ccc21
|
C26H25F3N2O4 486.490000 |
PABWXIBCXIQVPC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188039; PubChem:CID10096908
|
Local ready
Direct docking supported
|
|
E3L047869
BDB047869
|
BDBM50188040
CCOC(Cc1cccc2c1ccn2Cc1nc(-c2ccccc2)oc1C)C(=O)O
|
C24H24N2O4 404.466000 |
KOXPFQLGGZYKBZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188040; PubChem:CID11741962
|
Local ready
Direct docking supported
|
|
E3L047870
BDB047870
|
BDBM50188041
CCOC(Cc1ccc2c(ccn2Cc2nc(-c3ccccc3OC(C)C)oc2C)c1)C(=O)O
|
C27H30N2O5 462.546000 |
JLVNHOJWHCMXNK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188041; PubChem:CID10027350
|
Local ready
Direct docking supported
|
|
E3L047871
BDB047871
|
BDBM50188042
CCOC(Cc1cccc2c1ccn2CCc1nc(-c2ccccc2)oc1C)C(=O)O
|
C25H26N2O4 418.493000 |
XAGKAHDCKRCLLG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188042; PubChem:CID10047627
|
Local ready
Direct docking supported
|
|
E3L047872
BDB047872
|
BDBM50188245
COc1cccc2c(=O)[nH]c(-c3ccc(C)cc3)nc12
|
C16H14N2O2 266.300000 |
JKCKQJATUNERKN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188245; PubChem:CID135566972
|
Local ready
Direct docking supported
|
|
E3L047873
BDB047873
|
2-(4-chlorophenyl)-8-methoxy-3H-quinazolin-4-one
COc1cccc2c(=O)[nH]c(-c3ccc(Cl)cc3)nc12
|
C15H11ClN2O2 286.718000 |
LQPOBZQTJQYWPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188246; PubChem:CID136227775
|
Local ready
Direct docking supported
|
|
E3L047874
BDB047874
|
2-(4-fluorophenyl)-8-hydroxyquinazolin-4(3H)-one
O=c1[nH]c(-c2ccc(F)cc2)nc2c(O)cccc12
|
C14H9FN2O2 256.236000 |
RNMBZYKZMPEIAZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188247; PubChem:CID136372378
|
Local ready
Direct docking supported
|
|
E3L047875
BDB047875
|
2-(4-bromophenyl)-8-hydroxy-3H-quinazolin-4-one
O=c1[nH]c(-c2ccc(Br)cc2)nc2c(O)cccc12
|
C14H9BrN2O2 317.142000 |
IFOOEZCGGVWMDI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188248; PubChem:CID136491252
|
Local ready
Direct docking supported
|
|
E3L047876
BDB047876
|
8-Hydroxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
O=[N+]([O-])c1ccc(-c2nc(O)c3cccc(O)c3n2)cc1
|
C14H9N3O4 283.243000 |
FKPMZNSEGYFIDN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188249; PubChem:CID135492389
|
Local ready
Direct docking supported
|
|
E3L047877
BDB047877
|
BDBM50188250
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
C20H13Cl2F3N2O6 505.232000 |
FISIGJXTGDYTEM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188250; PubChem:CID339720
|
Local ready
Direct docking supported
|
|
E3L047878
BDB047878
|
BDBM50188251
CC(C)c1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl
|
C23H21Cl3N2O5 511.789000 |
TUIXJHJQVKMVGZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188251; PubChem:CID44414917
|
Local ready
Direct docking supported
|
|
E3L047879
BDB047879
|
BDBM50188252
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1C(F)(F)F
|
C23H17ClF6N2O5 550.839000 |
GYIROJSAFURELI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188252; PubChem:CID44414962
|
Local ready
Direct docking supported
|
|
E3L047880
BDB047880
|
BDBM50188253
O=C(O)Cc1ccc(-c2noc(-c3ccco3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1
|
C24H17Cl3N2O6 535.767000 |
GIVLJFANLOYRFJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188253; PubChem:CID16043249
|
Local ready
Direct docking supported
|