| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L063481
BDB063481
|
BDBM50619136
c1cncc(-c2noc(-c3nnon3)n2)c1
|
C8H4N6O2 216.160000 |
HIKMWIUIHNDVGF-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619136; PubChem:CID172458915
|
Local ready
Direct docking supported
|
|
E3L063482
BDB063482
|
3-pyridin-3-yl-5-(2H-tetrazol-5-yl)-1,2,4-oxadiazole
c1cncc(-c2noc(-c3nn[nH]n3)n2)c1
|
C8H5N7O 215.176000 |
VHGHZNQLKRUDNK-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619137; PubChem:CID172471202
|
Local ready
Direct docking supported
|
|
E3L063483
BDB063483
|
BDBM50619138
Cn1nnc(-c2nc(-c3cccnc3)no2)n1
|
C9H7N7O 229.203000 |
GVKFUETYDMWXJQ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619138; PubChem:CID172456474
|
Local ready
Direct docking supported
|
|
E3L063484
BDB063484
|
BDBM50619139
C1=CC(c2nc(-c3cccnc3)no2)=CC1
|
C12H9N3O 211.224000 |
LSBHZVOYUBWXEV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619139; PubChem:CID172454234
|
Local ready
Direct docking supported
|
|
E3L063485
BDB063485
|
5-(Cyclopenten-1-yl)-3-pyridin-3-yl-1,2,4-oxadiazole
C1=C(c2nc(-c3cccnc3)no2)CCC1
|
C12H11N3O 213.240000 |
VVROMAZQNMBRRV-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619140; PubChem:CID172463566
|
Local ready
Direct docking supported
|
|
E3L063486
BDB063486
|
5-Cyclopent-2-en-1-yl-3-pyridin-3-yl-1,2,4-oxadiazole
C1=CC(c2nc(-c3cccnc3)no2)CC1
|
C12H11N3O 213.240000 |
WFXUBESVLSWJQR-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619141; PubChem:CID172453867
|
Local ready
Direct docking supported
|
|
E3L063487
BDB063487
|
5-Cyclopentyl-3-pyridin-3-yl-1,2,4-oxadiazole
c1cncc(-c2noc(C3CCCC3)n2)c1
|
C12H13N3O 215.256000 |
SYVDHEGPXDVQNA-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619142; PubChem:CID146889468
|
Local ready
Direct docking supported
|
|
E3L063488
BDB063488
|
5-Pentyl-3-pyridin-3-yl-1,2,4-oxadiazole
CCCCCc1nc(-c2cccnc2)no1
|
C12H15N3O 217.272000 |
UUTLJOCMWPAEAZ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619143; PubChem:CID172452837
|
Local ready
Direct docking supported
|
|
E3L063489
BDB063489
|
3-Pyridin-3-yl-5-thiophen-3-yl-1,2,4-oxadiazole
c1cncc(-c2noc(-c3ccsc3)n2)c1
|
C11H7N3OS 229.264000 |
NEMJBUKRZVAVAJ-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50619144; PubChem:CID142672379
|
Local ready
Direct docking supported
|
|
E3L063490
BDB063490
|
4-benzyl-5-hydroxy-2H-phthalazin-1-one
O=c1[nH]nc(Cc2ccccc2)c2c(O)cccc12
|
C15H12N2O2 252.273000 |
RMDVIIZPRLZSOT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619147; PubChem:CID136389677
|
Local ready
Direct docking supported
|
|
E3L063491
BDB063491
|
BDBM50619148
Cn1c(COc2cccc3c(=O)[nH]nc(Cc4ccccc4)c23)cnc1[N+](=O)[O-]
|
C20H17N5O4 391.387000 |
LJZOBOFMSJPSFF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619148; PubChem:CID172442233
|
Local ready
Direct docking supported
|
|
E3L063492
BDB063492
|
4-benzyl-6-hydroxy-2H-phthalazin-1-one
O=c1[nH]nc(Cc2ccccc2)c2cc(O)ccc12
|
C15H12N2O2 252.273000 |
VWGTXGVNXSQKOQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619149; PubChem:CID172462710
|
Local ready
Direct docking supported
|
|
E3L063493
BDB063493
|
BDBM50619150
Cn1c(COc2ccc3c(=O)[nH]nc(Cc4ccccc4)c3c2)cnc1[N+](=O)[O-]
|
C20H17N5O4 391.387000 |
LEWRQFODURBYFY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619150; PubChem:CID172467717
|
Local ready
Direct docking supported
|
|
E3L063494
BDB063494
|
4-benzyl-7-hydroxy-2H-phthalazin-1-one
O=c1[nH]nc(Cc2ccccc2)c2ccc(O)cc12
|
C15H12N2O2 252.273000 |
UOJQIPKLYOLALI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619151; PubChem:CID172449173
|
Local ready
Direct docking supported
|
|
E3L063495
BDB063495
|
BDBM50619152
Cn1c(COc2ccc3c(Cc4ccccc4)n[nH]c(=O)c3c2)cnc1[N+](=O)[O-]
|
C20H17N5O4 391.387000 |
JJTIAWXMDVPXSG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619152; PubChem:CID172455305
|
Local ready
Direct docking supported
|
|
E3L063496
BDB063496
|
BDBM50619153
O=C(c1cc(Cc2n[nH]c(=O)c3cccc(O)c23)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C24H23FN4O4 450.470000 |
HCSDBWQLMBCURU-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619153; PubChem:CID172443608
|
Local ready
Direct docking supported
|
|
E3L063497
BDB063497
|
BDBM50619154
Cn1c(COc2cccc3c(=O)[nH]nc(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)c23)cnc1[N+](=O)[O-]
|
C29H28FN7O6 589.584000 |
IQXSROPJVKQSPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619154; PubChem:CID172452205
|
Local ready
Direct docking supported
|
|
E3L063498
BDB063498
|
BDBM50619155
O=C(c1cc(Cc2n[nH]c(=O)c3ccc(O)cc23)ccc1F)N1CCN(C(=O)C2CC2)CC1
|
C24H23FN4O4 450.470000 |
MYHBJWGJCFCDGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619155; PubChem:CID172445170
|
Local ready
Direct docking supported
|
|
E3L063499
BDB063499
|
BDBM50619156
Cn1c(COc2ccc3c(=O)[nH]nc(Cc4ccc(F)c(C(=O)N5CCN(C(=O)C6CC6)CC5)c4)c3c2)cnc1[N+](=O)[O-]
|
C29H28FN7O6 589.584000 |
JPFSDKHFNSBQIJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619156; PubChem:CID172467006
|
Local ready
Direct docking supported
|
|
E3L063500
BDB063500
|
BDBM50619157
Cn1c([N+](=O)[O-])cnc1COc1ccc2c(=O)[nH]nc(Cc3ccc(F)c(C(=O)N4CCN(C(=O)C5CC5)CC4)c3)c2c1
|
C29H28FN7O6 589.584000 |
RELPVTKVSFNAJH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50619157; PubChem:CID172443002
|
Local ready
Direct docking supported
|