| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L045841
BDB045841
|
BDBM50106105
CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)Cc2ccc(C(F)(F)F)cc2)c1)C(=O)O
|
C31H28F9NO4 649.550000 |
NZLNOHAQQIEZHC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50106105; PubChem:CID9895808
|
Local ready
Direct docking supported
|
|
E3L045842
BDB045842
|
BDBM50106106
CC(C)(Oc1cccc(CCCN(C(=O)c2ccc(C(F)(F)F)c(C(F)(F)F)c2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O
|
C33H29F6N3O5 661.599000 |
XMGJEASDMJAFLB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50106106; PubChem:CID44331667
|
Local ready
Direct docking supported
|
|
E3L045843
BDB045843
|
BDBM50106107
CC(C)(Oc1cccc(CCCN(C(=O)Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ncon3)c2C2CC2)c1)C(=O)O
|
C33H32F3N3O5 607.629000 |
YRDLDJLGHRTHHG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106107; PubChem:CID44331751
|
Local ready
Direct docking supported
|
|
E3L045844
BDB045844
|
BDBM50106108
CC(C)(Oc1cccc(CCCN(Cc2ccc(C(F)(F)F)cc2C(F)(F)F)C(=O)COc2ccc(Cl)c(Cl)c2)c1)C(=O)O
|
C30H27Cl2F6NO5 666.442000 |
HZHNVQAONNDZTQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50106108; PubChem:CID44331668
|
Local ready
Direct docking supported
|
|
E3L045845
BDB045845
|
BDBM50106109
CC(C)(Oc1cccc(CCCN(CCOC(=O)c2ccc(N=C=O)cc2)Cc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O
|
C32H30F6N2O6 652.588000 |
JUVSFLKQLLWIKQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50106109; PubChem:CID44331685
|
Local ready
Direct docking supported
|
|
E3L045846
BDB045846
|
1(2H)-Phthalazinone
O=c1[nH]ncc2ccccc12
|
C8H6N2O 146.149000 |
IJAPPYDYQCXOEF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106185; PubChem:CID8394
|
Local ready
Direct docking supported
|
|
E3L045847
BDB045847
|
4-Bromobenzamide
NC(=O)c1ccc(Br)cc1
|
C7H6BrNO 200.035000 |
ZRWNRAJCPNLYAK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106186; PubChem:CID69683
|
Local ready
Direct docking supported
|
|
E3L045848
BDB045848
|
Benzamide
NC(=O)c1ccccc1
|
C7H7NO 121.139000 |
KXDAEFPNCMNJSK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106187; PubChem:CID2331
|
Local ready
Direct docking supported
|
|
E3L045849
BDB045849
|
3-Methoxybenzamide
COc1cccc(C(N)=O)c1
|
C8H9NO2 151.165000 |
VKPLPDIMEREJJF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106188; PubChem:CID98487
|
Local ready
Direct docking supported
|
|
E3L045850
BDB045850
|
m-Toluamide
Cc1cccc(C(N)=O)c1
|
C8H9NO 135.166000 |
WGRPQCFFBRDZFV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106189; PubChem:CID69253
|
Local ready
Direct docking supported
|
|
E3L045851
BDB045851
|
4-Aminobenzamide
NC(=O)c1ccc(N)cc1
|
C7H8N2O 136.154000 |
QIKYZXDTTPVVAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106190; PubChem:CID76079
|
Local ready
Direct docking supported
|
|
E3L045852
BDB045852
|
Chlorthenoxazine
O=C1NC(CCCl)Oc2ccccc21
|
C10H10ClNO2 211.648000 |
YEKMWXFHPZBZLR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106191; PubChem:CID8602
|
Local ready
Direct docking supported
|
|
E3L045853
BDB045853
|
4-Chlorobenzamide
NC(=O)c1ccc(Cl)cc1
|
C7H6ClNO 155.584000 |
BLNVISNJTIRAHF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106192; PubChem:CID12084
|
Local ready
Direct docking supported
|
|
E3L045854
BDB045854
|
3-(Dimethylamino)benzamide
CN(C)c1cccc(C(N)=O)c1
|
C9H12N2O 164.208000 |
OAGBEOHRGRUDEO-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106193; PubChem:CID2758498
|
Local ready
Direct docking supported
|
|
E3L045855
BDB045855
|
Naphthalimide
O=C1NC(=O)c2cccc3cccc1c23
|
C12H7NO2 197.193000 |
XJHABGPPCLHLLV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106194; PubChem:CID66491
|
Local ready
Direct docking supported
|
|
E3L045856
BDB045856
|
3-Nitrobenzamide
NC(=O)c1cccc([N+](=O)[O-])c1
|
C7H6N2O3 166.136000 |
KWAYEPXDGHYGRW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106195; PubChem:CID12576
|
Local ready
Direct docking supported
|
|
E3L045857
BDB045857
|
Quinazolinedione
O=c1[nH]c(=O)c2ccccc2[nH]1
|
C8H6N2O2 162.148000 |
SDQJTWBNWQABLE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106196; PubChem:CID64048
|
Local ready
Direct docking supported
|
|
E3L045858
BDB045858
|
3-Bromobenzamide
NC(=O)c1cccc(Br)c1
|
C7H6BrNO 200.035000 |
ODJFDWIECLJWSR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106197; PubChem:CID89807
|
Local ready
Direct docking supported
|
|
E3L045859
BDB045859
|
3-Fluorobenzamide
NC(=O)c1cccc(F)c1
|
C7H6FNO 139.129000 |
YPIGHNIIXYSPKF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106199; PubChem:CID68000
|
Local ready
Direct docking supported
|
|
E3L045860
BDB045860
|
4-Fluorobenzamide
NC(=O)c1ccc(F)cc1
|
C7H6FNO 139.129000 |
VNDHYTGVCGVETQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50106200; PubChem:CID71572
|
Local ready
Direct docking supported
|