| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L057661
BDB057661
|
BDBM50486808
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](C(=O)O)n2cccc2)cc1
|
C25H24N2O4 416.477000 |
OCWDFPOKWYMLGH-HSZRJFAPSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50486808; PubChem:CID59096898
|
Local ready
Direct docking supported
|
|
E3L057662
BDB057662
|
BDBM50487310
CC(C)Cc1ccc(-c2nc(COc3ccc(CC(OC(C)C)C(=O)O)cc3)no2)cc1
|
C25H30N2O5 438.524000 |
ZRSZFRJAJVHKGU-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50487310; PubChem:CID76330323
|
Local ready
Direct docking supported
|
|
E3L057663
BDB057663
|
BDBM50487311
CC(C)OC(Cc1ccc(OCCc2noc(C3CCCCC3)n2)cc1)C(=O)O
|
C22H30N2O5 402.491000 |
YNVVLCIEAUHFQP-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50487311; PubChem:CID76326666
|
Local ready
Direct docking supported
|
|
E3L057664
BDB057664
|
BDBM50487759
CCOC(=O)CN1C(=O)SC(Cc2ccc(N)cc2)C1=O
|
C14H16N2O4S 308.359000 |
AHQBBBRURNEUHJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487759; PubChem:CID76312305
|
Local ready
Direct docking supported
|
|
E3L057665
BDB057665
|
BDBM50487760
CCCc1cc(Oc2ccc(O)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
|
C27H27NO6S 493.581000 |
CBZFDXUHVIJIMV-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487760; PubChem:CID76333688
|
Local ready
Direct docking supported
|
|
E3L057666
BDB057666
|
BDBM50487761
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OCCBr)cc2)C1=O
|
C16H16BrNO5S 414.277000 |
PADUOKGJTXEALA-LCYFTJDESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487761; PubChem:CID76315850
|
Local ready
Direct docking supported
|
|
E3L057667
BDB057667
|
BDBM50487762
COC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O
|
C13H13NO5S 295.316000 |
RBULWEAAKVPTDT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487762; PubChem:CID76319552
|
Local ready
Direct docking supported
|
|
E3L057668
BDB057668
|
BDBM50487763
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(OC)cc2)C1=O
|
C15H15NO5S 321.354000 |
YMCLAYSVBWFROW-WQLSENKSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487763; PubChem:CID5534504
|
Local ready
Direct docking supported
|
|
E3L057669
BDB057669
|
BDBM50487764
CCOC(=O)CN1C(=O)SC(Cc2ccc(OCCBr)cc2)C1=O
|
C16H18BrNO5S 416.293000 |
ZZERUIWDLBKQOS-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487764; PubChem:CID76311981
|
Local ready
Direct docking supported
|
|
E3L057670
BDB057670
|
BDBM50487765
CCOC(=O)CN1C(=O)SC(Cc2ccc(F)cc2)C1=O
|
C14H14FNO4S 311.334000 |
BWHOCGOMWCZJSZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487765; PubChem:CID76326728
|
Local ready
Direct docking supported
|
|
E3L057671
BDB057671
|
BDBM50487766
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C)cc2)C1=O
|
C15H15NO4S 305.355000 |
BIZMMICAXDMOKO-WQLSENKSSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487766; PubChem:CID2280142
|
Local ready
Direct docking supported
|
|
E3L057672
BDB057672
|
BDBM50487767
CCCc1cc(Oc2ccc(Cl)c(Cl)c2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
|
C27H25Cl2NO5S 546.472000 |
YWQSEOGSFSYRKZ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487767; PubChem:CID76322858
|
Local ready
Direct docking supported
|
|
E3L057673
BDB057673
|
BDBM50487768
COC(=O)CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O
|
C13H11NO5S 293.300000 |
MQXAKQCBYIQNQF-POHAHGRESA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487768; PubChem:CID49913435
|
Local ready
Direct docking supported
|
|
E3L057674
BDB057674
|
BDBM50487769
CCOC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O
|
C14H12N2O6S 336.325000 |
ZGBCAURKAZIOGO-XFFZJAGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487769; PubChem:CID49910818
|
Local ready
Direct docking supported
|
|
E3L057675
BDB057675
|
BDBM50487770
CCCc1cc(Oc2ccc(C(C)C)cc2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
|
C30H33NO5S 519.663000 |
XDJYAFLOPHBJRT-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487770; PubChem:CID76319206
|
Local ready
Direct docking supported
|
|
E3L057676
BDB057676
|
BDBM50487771
CCCc1cc(Oc2ccc(Cl)c(C)c2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
|
C28H28ClNO5S 526.054000 |
PYOXONALANISON-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487771; PubChem:CID76330047
|
Local ready
Direct docking supported
|
|
E3L057677
BDB057677
|
BDBM50487772
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O
|
C14H12ClNO4S 325.773000 |
ASCMGVNUSZSSJM-XFFZJAGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487772; PubChem:CID2285412
|
Local ready
Direct docking supported
|
|
E3L057678
BDB057678
|
BDBM50487773
CCOC(=O)CN1C(=O)SC(Cc2ccc(C(F)(F)F)cc2)C1=O
|
C15H14F3NO4S 361.341000 |
BPUZNVWHPZOTOJ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487773; PubChem:CID76330398
|
Local ready
Direct docking supported
|
|
E3L057679
BDB057679
|
BDBM50487774
CCOC(=O)CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O
|
C15H12F3NO4S 359.325000 |
VNTWFZGOMRJLBF-XFFZJAGNSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487774; PubChem:CID2287582
|
Local ready
Direct docking supported
|
|
E3L057680
BDB057680
|
BDBM50487775
CCCc1cc(Oc2ccc(F)c(C)c2)ccc1OCCCOc1ccc(C2SC(=O)NC2=O)cc1
|
C28H28FNO5S 509.599000 |
ONQVKTJEVCDNKH-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50487775; PubChem:CID76319208
|
Local ready
Direct docking supported
|