| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046121
BDB046121
|
BDBM50121422
O=C(Nc1ccc(OCc2cccs2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C19H13Cl2NO4S 422.289000 |
RHNGSZQNJSTEEB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121422; PubChem:CID10295772
|
Local ready
Direct docking supported
|
|
E3L046122
BDB046122
|
BDBM50121423
O=C(Nc1ccc(OCCc2cccs2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C20H15Cl2NO4S 436.316000 |
VBJDTFMKZNAHSC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121423; PubChem:CID10181454
|
Local ready
Direct docking supported
|
|
E3L046123
BDB046123
|
BDBM50121424
O=C(Nc1ccc(Oc2cncc(Cl)n2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C18H10Cl3N3O4 438.654000 |
OSSVQVKVEZPBSO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121424; PubChem:CID10296909
|
Local ready
Direct docking supported
|
|
E3L046124
BDB046124
|
BDBM50122333
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)O
|
C26H25BrO4 481.386000 |
CJGRPCBFIYJMOR-WWNGRIQCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50122333; PubChem:CID44320897
|
Local ready
Direct docking supported
|
|
E3L046125
BDB046125
|
BDBM50122334
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccc(-c3ccco3)cc2)c2ccc(-c3ccco3)cc2)cc1)C([O])=O
|
C34H19O6 523.520000 |
HOQNCKKGVFPDTO-XIFFEERXSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50122334
|
Local ready
Direct docking supported
|
|
E3L046126
BDB046126
|
BDBM50122335
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O
|
C26H25FO4 420.480000 |
SNMFWHCQPZSLEZ-WWNGRIQCSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50122335; PubChem:CID44321655
|
Local ready
Direct docking supported
|
|
E3L046127
BDB046127
|
BDBM50122336
CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)O
|
C30H28O5 468.549000 |
XHKNGLNAUZPBHP-HDFSHUSISA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50122336; PubChem:CID44321462
|
Local ready
Direct docking supported
|
|
E3L046128
BDB046128
|
BDBM50122337
CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(Br)cc2)cc1)C(=O)O
|
C26H25BrO4 481.386000 |
CJGRPCBFIYJMOR-NHOMFQCRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50122337; PubChem:CID44321441
|
Local ready
Direct docking supported
|
|
E3L046129
BDB046129
|
BDBM50122338
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1)C([O])=O
|
C38H23O4 543.598000 |
OGJQNHHYVWHWMN-QNGWXLTQSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50122338
|
Local ready
Direct docking supported
|
|
E3L046130
BDB046130
|
BDBM50122339
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccc([C])cc2)c2ccc([C])cc2)cc1)C([O])=O
|
C28H13O4 413.408000 |
AHQGDOOTLXXGHX-MHZLTWQESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50122339
|
Local ready
Direct docking supported
|
|
E3L046131
BDB046131
|
BDBM50122340
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccccc2)c2ccccc2)cc1)C([O])=O
|
C26H15O4 391.402000 |
ZLKVDBORZNXGRT-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB
BindingDB:BDBM50122340
|
Local ready
Direct docking supported
|
|
E3L046132
BDB046132
|
BDBM50122341
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
C32H30O4 478.588000 |
IILKLIPGEXMTPN-CJFFBLHWSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50122341; PubChem:CID44320978
|
Local ready
Direct docking supported
|
|
E3L046133
BDB046133
|
BDBM50122342
CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(F)cc2)cc1)C(=O)O
|
C26H25FO4 420.480000 |
SNMFWHCQPZSLEZ-NHOMFQCRSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50122342; PubChem:CID44321201
|
Local ready
Direct docking supported
|
|
E3L046134
BDB046134
|
BDBM50122343
CCO[C@@H](Cc1ccc(OCCN(c2ccccc2)c2ccccc2)cc1)C(=O)O
|
C25H27NO4 405.494000 |
KASBLUIPHVTDNF-DEOSSOPVSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50122343; PubChem:CID44321517
|
Local ready
Direct docking supported
|
|
E3L046135
BDB046135
|
BDBM50122344
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccc(O[C])cc2)c2ccc(O[C])cc2)cc1)C([O])=O
|
C28H13O6 445.406000 |
LMSHRSDJCBSCKE-MHZLTWQESA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50122344
|
Local ready
Direct docking supported
|
|
E3L046136
BDB046136
|
BDBM50122345
CCO[C@@H](Cc1ccc(OC/C=C(/c2ccccc2)c2ccc(-c3ccccc3)cc2)cc1)C(=O)O
|
C32H30O4 478.588000 |
IILKLIPGEXMTPN-WFRJPOHTSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50122345; PubChem:CID44321548
|
Local ready
Direct docking supported
|
|
E3L046137
BDB046137
|
BDBM50122346
CCO[C@@H](Cc1ccc(OC/C=C(\c2ccccc2)c2ccc(-c3ccco3)cc2)cc1)C(=O)O
|
C30H28O5 468.549000 |
XHKNGLNAUZPBHP-NNAGEYCMSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50122346; PubChem:CID44321284
|
Local ready
Direct docking supported
|
|
E3L046138
BDB046138
|
BDBM50122347
[C][C]O[C@@H]([C]c1ccc(O[C][C]=C(c2ccc(Br)cc2)c2ccc(Br)cc2)cc1)C([O])=O
|
C26H13Br2O4 549.194000 |
BHXMKGICUPZZOO-VWLOTQADSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB
BindingDB:BDBM50122347
|
Local ready
Direct docking supported
|
|
E3L046139
BDB046139
|
BDBM50122772
CN(C)Cc1cccc(-c2nc3cccc4c3n2CCNC4=O)c1
|
C19H20N4O 320.396000 |
ODYWEDXOLLNDIN-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50122772; PubChem:CID9905158
|
Local ready
Direct docking supported
|
|
E3L046140
BDB046140
|
BDBM50122773
O=C1NCCn2c(-c3cccc(C(F)(F)F)c3)nc3cccc1c32
|
C17H12F3N3O 331.297000 |
HXRYZKSGSYSTNV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50122773; PubChem:CID11012966
|
Local ready
Direct docking supported
|