| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047281
BDB047281
|
BDBM50168571
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC(F)(F)F)cc3Cl)cc2O1
|
C22H22ClF3O6 474.859000 |
NYYTUEOWARPYTL-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168571; PubChem:CID10162519
|
Local ready
Direct docking supported
|
|
E3L047282
BDB047282
|
BDBM50168572
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1
|
C22H22ClF3O6 474.859000 |
IBAKQHNUVPCAOH-OAQYLSRUSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50168572; PubChem:CID9826186
|
Local ready
Direct docking supported
|
|
E3L047283
BDB047283
|
BDBM50169057
COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4c(C)ccc4c(=O)[nH]3)CC2)cc1
|
C25H29N3O4 435.524000 |
CSZYQIKNQBWYMC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50169057; PubChem:CID118498201
|
Local ready
Direct docking supported
|
|
E3L047284
BDB047284
|
BDBM50169058
CC(C)n1cc(C(=O)C2CCN(C(=O)CCCc3nc4c(ccn4C)c(=O)[nH]3)CC2)cn1
|
C23H30N6O3 438.532000 |
LMUIMYHRSNNJLB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50169058; PubChem:CID136175126
|
Local ready
Direct docking supported
|
|
E3L047285
BDB047285
|
BDBM50169059
Cc1ccc2c(=O)[nH]c(CCCC(=O)N3CCC(Oc4ccc(C#N)cc4)CC3)nn12
|
C23H25N5O3 419.485000 |
CEKWANGMSIIGAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50169059; PubChem:CID136175127
|
Local ready
Direct docking supported
|
|
E3L047286
BDB047286
|
BDBM50169060
COc1ccc(C(=O)C2CCN(C(=O)CCCc3nc4c(C)scc4c(=O)[nH]3)CC2)cc1C
|
C25H29N3O4S 467.591000 |
PPFZSMPPXPFDAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50169060; PubChem:CID136175128
|
Local ready
Direct docking supported
|
|
E3L047287
BDB047287
|
BDBM50169061
COc1ccc(C(=O)C2CCN(C(=O)CCCc3cn4cc(F)cc4c(=O)[nH]3)CC2)cn1
|
C23H25FN4O4 440.475000 |
ZWSDFCUUVVGTIL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50169061; PubChem:CID118507411
|
Local ready
Direct docking supported
|
|
E3L047288
BDB047288
|
BDBM50169226
CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(OC(C)C)cc1
|
C26H34O5 426.553000 |
HQECXVSQKONBDF-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169226; PubChem:CID11212480
|
Local ready
Direct docking supported
|
|
E3L047289
BDB047289
|
BDBM50169227
CCCc1cc2c(oc(=O)n2CC)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1
|
C26H33NO5 439.552000 |
WEQANHSKIULRFP-QHCPKHFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169227; PubChem:CID11178156
|
Local ready
Direct docking supported
|
|
E3L047290
BDB047290
|
Phenyl-(4-propionyl-phenoxy)-acetic acid
CCC(=O)c1ccc(OC(C(=O)O)c2ccccc2)cc1
|
C17H16O4 284.311000 |
FOOFCLCLMVWKDW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169228; PubChem:CID11448976
|
Local ready
Direct docking supported
|
|
E3L047291
BDB047291
|
(2,6-Dimethyl-4-propionyl-phenoxy)-phenyl-acetic acid
CCC(=O)c1cc(C)c(OC(C(=O)O)c2ccccc2)c(C)c1
|
C19H20O4 312.365000 |
YLVZYHBHDMVNKK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50169229; PubChem:CID11449787
|
Local ready
Direct docking supported
|
|
E3L047292
BDB047292
|
BDBM50169230
CCCc1c(O[C@H](C(=O)O)c2ccc(C(C)C)cc2)c(Cl)cc2c1oc(=O)n2CC
|
C23H26ClNO5 431.916000 |
NIUAMYAEHXOIEB-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50169230; PubChem:CID11189652
|
Local ready
Direct docking supported
|
|
E3L047293
BDB047293
|
BDBM50169231
CCCc1cc(C(=O)CC)cc(CCC)c1O[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1
|
C24H27F3O4 436.470000 |
GYUDZHCBKASPDK-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169231; PubChem:CID11178075
|
Local ready
Direct docking supported
|
|
E3L047294
BDB047294
|
BDBM50169232
CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(CC(C)C)cc1
|
C28H37NO5 467.606000 |
BAQTWFGAUSSHPN-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169232; PubChem:CID11419960
|
Local ready
Direct docking supported
|
|
E3L047295
BDB047295
|
BDBM50169233
CCCc1cc2c(oc(=O)n2C)c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1
|
C25H31NO5 425.525000 |
VSBAWOCZJWUIIT-QFIPXVFZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50169233; PubChem:CID11189474
|
Local ready
Direct docking supported
|
|
E3L047296
BDB047296
|
BDBM50169234
CCCc1cc2c(oc(=O)n2C(C)C)c(CCC)c1O[C@H](C(=O)O)c1ccccc1
|
C24H29NO5 411.498000 |
TYDPUTFONONBLE-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169234; PubChem:CID11327370
|
Local ready
Direct docking supported
|
|
E3L047297
BDB047297
|
Phenyl-(4-propionyl-2,6-dipropyl-phenoxy)-acetic acid
CCCc1cc(C(=O)CC)cc(CCC)c1OC(C(=O)O)c1ccccc1
|
C23H28O4 368.473000 |
BMPWRPJAGOEYLP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169235; PubChem:CID10177074
|
Local ready
Direct docking supported
|
|
E3L047298
BDB047298
|
BDBM50169236
CCCc1cc2c(=O)n(C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccccc1
|
C22H25NO5 383.444000 |
LODDUXNJHHRABT-IBGZPJMESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169236; PubChem:CID11234452
|
Local ready
Direct docking supported
|
|
E3L047299
BDB047299
|
BDBM50169237
CCCc1cc2c(=O)n(C(C)C)oc2c(CCC)c1O[C@H](C(=O)O)c1ccc(C(C)C)cc1
|
C27H35NO5 453.579000 |
LAFWUMIZQZGZAR-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50169237; PubChem:CID11419635
|
Local ready
Direct docking supported
|
|
E3L047300
BDB047300
|
(4-Isobutyryl-2,6-dipropyl-phenoxy)-phenyl-acetic acid
CCCc1cc(C(=O)C(C)C)cc(CCC)c1OC(C(=O)O)c1ccccc1
|
C24H30O4 382.500000 |
HPJVMPDKCNLPBA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50169238; PubChem:CID11153268
|
Local ready
Direct docking supported
|