| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047561
BDB047561
|
BDBM50176685
CCC(C(=O)O)C1CCc2cc(OCCc3nc(Cc4ccc(F)cc4)oc3C)ccc21
|
C26H28FNO4 437.511000 |
DEEPBHHDSMSJBI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176685; PubChem:CID44406104
|
Local ready
Direct docking supported
|
|
E3L047562
BDB047562
|
BDBM50176686
Cc1oc(-c2ccccc2)nc1CCOc1ccc2c(c1)CCC2C(C(=O)O)C(=O)O
|
C24H23NO6 421.449000 |
YJEOTFNYZRJYFK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176686; PubChem:CID21942731
|
Local ready
Direct docking supported
|
|
E3L047563
BDB047563
|
BDBM50176687
CCC(C(=O)O)C1CCc2cc(OCCc3nc(C4CCCCC4)oc3C)ccc21
|
C25H33NO4 411.542000 |
VZZWXAKUDHTJLN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50176687; PubChem:CID10136347
|
Local ready
Direct docking supported
|
|
E3L047564
BDB047564
|
BDBM50176688
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(OC)cc4)oc3C)ccc21
|
C26H29NO5 435.520000 |
QRAPSYCJHNENAL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176688; PubChem:CID10160128
|
Local ready
Direct docking supported
|
|
E3L047565
BDB047565
|
BDBM50176689
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccc(F)c(C)c4)oc3C)ccc21
|
C26H28FNO4 437.511000 |
MVOMVGIFONCQFN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176689; PubChem:CID44406204
|
Local ready
Direct docking supported
|
|
E3L047566
BDB047566
|
BDBM50176690
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4cccc5ccccc45)oc3C)ccc21
|
C29H29NO4 455.554000 |
RLGDPPYJQMPBGX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176690; PubChem:CID22610208
|
Local ready
Direct docking supported
|
|
E3L047567
BDB047567
|
BDBM50176691
CC[C@@H](C(=O)O)[C@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21
|
C25H26FNO4 423.484000 |
HOLWSQOWERGNCR-IFMALSPDSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50176691; PubChem:CID44406375
|
Local ready
Direct docking supported
|
|
E3L047568
BDB047568
|
BDBM50176692
CC[C@H](C(=O)O)[C@@H]1CCc2cc(OCCc3nc(-c4ccc(F)cc4)oc3C)ccc21
|
C25H26FNO4 423.484000 |
HOLWSQOWERGNCR-UNMCSNQZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50176692; PubChem:CID44406381
|
Local ready
Direct docking supported
|
|
E3L047569
BDB047569
|
BDBM50176693
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4c(F)cccc4F)oc3C)ccc21
|
C25H25F2NO4 441.474000 |
JSYOCLBCSGEPPO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50176693; PubChem:CID44406236
|
Local ready
Direct docking supported
|
|
E3L047570
BDB047570
|
BDBM50176694
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21
|
C23H25NO5 395.455000 |
TYIJPJRVSMIEIT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50176694; PubChem:CID44406117
|
Local ready
Direct docking supported
|
|
E3L047571
BDB047571
|
BDBM50176695
CCC(C(=O)O)C1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21
|
C24H25NO4 391.467000 |
GVDFGDCUSRRJAW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50176695; PubChem:CID44406262
|
Local ready
Direct docking supported
|
|
E3L047572
BDB047572
|
Vanillin
COc1cc(C=O)ccc1O
|
C8H8O3 152.149000 |
MWOOGOJBHIARFG-UHFFFAOYSA-N | Q96FA3 | E3 ubiquitin-protein ligase pellino homolog 1 |
BindingDB, PubChem
BindingDB:BDBM50177405; PubChem:CID1183
|
Local ready
Direct docking supported
|
|
E3L047573
BDB047573
|
BDBM50177437
CN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C22H24N4O2 376.460000 |
VBHQNBUGNQIIHH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177437; PubChem:CID44408057
|
Local ready
Direct docking supported
|
|
E3L047574
BDB047574
|
BDBM50177438
CN(C)CCN(C)C(=O)c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1
|
C21H24N4O2 364.449000 |
NEKUYKVOKDNNFX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177438; PubChem:CID44407702
|
Local ready
Direct docking supported
|
|
E3L047575
BDB047575
|
BDBM50177439
Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C26H27N5O5S 521.599000 |
XMVRQCIUVHYAHY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177439; PubChem:CID44408105
|
Local ready
Direct docking supported
|
|
E3L047576
BDB047576
|
BDBM50177440
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCCN(C2CCCCC2)CC1
|
C27H31FN4O2 462.569000 |
CQEXDWGGRJLLLQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177440; PubChem:CID44408006
|
Local ready
Direct docking supported
|
|
E3L047577
BDB047577
|
BDBM50177441
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCN(C2CCCCC2)CC1
|
C27H32N4O2 444.579000 |
XLTUDYWAYYSSJP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177441; PubChem:CID44407942
|
Local ready
Direct docking supported
|
|
E3L047578
BDB047578
|
BDBM50177442
CCN1CCCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C23H26N4O2 390.487000 |
OBAAVMRKGBJFGT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177442; PubChem:CID44408064
|
Local ready
Direct docking supported
|
|
E3L047579
BDB047579
|
BDBM50177443
O=C(NC1CCCC1)C1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1
|
C27H30N4O3 458.562000 |
OIHMKKHQYJJCMZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177443; PubChem:CID44407780
|
Local ready
Direct docking supported
|
|
E3L047580
BDB047580
|
BDBM50177444
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCCNCC1
|
C21H22N4O2 362.433000 |
QDMIFBVZKVTWSS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50177444; PubChem:CID25132256
|
Local ready
Direct docking supported
|