| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045861
BDB045861
|
4-Hydroxybenzamide
NC(=O)c1ccc(O)cc1
|
C7H7NO2 137.138000 |
QXSAKPUBHTZHKW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106201; PubChem:CID65052
|
Local ready
Direct docking supported
|
|
E3L045862
BDB045862
|
3-Chlorobenzamide
NC(=O)c1cccc(Cl)c1
|
C7H6ClNO 155.584000 |
MJTGQALMWUUPQM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106202; PubChem:CID69254
|
Local ready
Direct docking supported
|
|
E3L045863
BDB045863
|
BDBM50106285
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cccnc23)cc1O
|
C23H16ClN3O4 433.851000 |
GIYKJPISDNWSJD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106285; PubChem:CID117964975
|
Local ready
Direct docking supported
|
|
E3L045864
BDB045864
|
BDBM50106286
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1
|
C22H12ClF3N2O3 444.796000 |
RUEKRLSPXAQNCP-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106286; PubChem:CID117964978
|
Local ready
Direct docking supported
|
|
E3L045865
BDB045865
|
BDBM50106287
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1O
|
C22H12ClF3N2O4 460.795000 |
UAAUZNSONHHQQI-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106287; PubChem:CID91664317
|
Local ready
Direct docking supported
|
|
E3L045866
BDB045866
|
BDBM50106288
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)c(F)c1
|
C22H11ClF4N2O3 462.786000 |
LTTBADSZQZHNMO-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106288; PubChem:CID117964962
|
Local ready
Direct docking supported
|
|
E3L045867
BDB045867
|
BDBM50106289
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)c(F)c1
|
C22H15ClF4N2O3 466.818000 |
BQKPQRMICRYEPE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106289; PubChem:CID117964998
|
Local ready
Direct docking supported
|
|
E3L045868
BDB045868
|
BDBM50106290
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3c2CCCC3)c(F)c1
|
C24H20ClFN2O3 438.886000 |
PCWVUKNALKMATE-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106290; PubChem:CID117964973
|
Local ready
Direct docking supported
|
|
E3L045869
BDB045869
|
BDBM50106292
O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@H](C(=O)O)[C@@H](O)C2)c2ccccn12
|
C21H17ClF3N3O4 467.831000 |
PSVGIMRVVSJLCX-NHYWBVRUSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106292; PubChem:CID122184177
|
Local ready
Direct docking supported
|
|
E3L045870
BDB045870
|
BDBM50106293
O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2ccccn12
|
C21H17ClF3N3O4 467.831000 |
PSVGIMRVVSJLCX-IAQYHMDHSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106293; PubChem:CID122182699
|
Local ready
Direct docking supported
|
|
E3L045871
BDB045871
|
BDBM50106294
O=C(O)c1ccc(-c2nc(C(=O)c3ccccc3C(F)(F)F)n3c2CCCC3)c(F)c1
|
C22H16F4N2O3 432.373000 |
PXZVETSQGNIYAQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106294; PubChem:CID122182700
|
Local ready
Direct docking supported
|
|
E3L045872
BDB045872
|
BDBM50106295
O=C(O)c1ccc(-c2nc(C(=O)c3c(F)cccc3Cl)n3c2CCCC3)c(F)c1
|
C21H15ClF2N2O3 416.811000 |
LYQOYBQJYMWTBG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106295; PubChem:CID122182701
|
Local ready
Direct docking supported
|
|
E3L045873
BDB045873
|
BDBM50106296
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3Cl)n3c2CCCC3)c(F)c1
|
C21H15Cl2FN2O3 433.266000 |
ZENLCDFVQUEFSK-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106296; PubChem:CID117964950
|
Local ready
Direct docking supported
|
|
E3L045874
BDB045874
|
BDBM50106297
N#Cc1cccc(Cl)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2
|
C22H15ClFN3O3 423.831000 |
JBTNQIRSIMLEKM-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106297; PubChem:CID122182702
|
Local ready
Direct docking supported
|
|
E3L045875
BDB045875
|
BDBM50106298
COc1cccc(Cl)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2
|
C22H18ClFN2O4 428.847000 |
XYJWRFFZVGIEEG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106298; PubChem:CID122182703
|
Local ready
Direct docking supported
|
|
E3L045876
BDB045876
|
BDBM50106299
N#Cc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2
|
C23H15F4N3O3 457.383000 |
GCPABWQSYTVJOD-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106299; PubChem:CID117964951
|
Local ready
Direct docking supported
|
|
E3L045877
BDB045877
|
BDBM50106300
COc1cccc(C(F)(F)F)c1C(=O)c1nc(-c2ccc(C(=O)O)cc2F)c2n1CCCC2
|
C23H18F4N2O4 462.399000 |
QMZQFEKUHKOUPA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106300; PubChem:CID117964963
|
Local ready
Direct docking supported
|
|
E3L045878
BDB045878
|
BDBM50106301
O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3C(F)(F)F)c3ccccc23)cc1
|
C22H12ClF3N2O3 444.796000 |
DANLZOIRUUHIIX-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106301; PubChem:CID68159303
|
Local ready
Direct docking supported
|
|
E3L045879
BDB045879
|
BDBM50106302
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3c2CCCC3)cc1
|
C22H16ClF3N2O3 448.828000 |
GMCJUSQYDSWBGL-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106302; PubChem:CID117964989
|
Local ready
Direct docking supported
|
|
E3L045880
BDB045880
|
BDBM50106324
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3cccnc23)cc1
|
C21H11ClF3N3O3 445.784000 |
QOLJEDPALOAFHA-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106324; PubChem:CID122184171
|
Local ready
Direct docking supported
|