| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L053561
BDB053561
|
BDBM50349832
CCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@H](CC)C(=O)O)cc1
|
C29H29NO5 471.553000 |
PMFWRAGPLVIDGB-NRFANRHFSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349832; PubChem:CID56666267
|
Local ready
Direct docking supported
|
|
E3L053562
BDB053562
|
BDBM50349833
CC[C@H](Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2OC)cc1)C(=O)O
|
C28H27NO5 457.526000 |
CYBICBBHMXTCRI-HXUWFJFHSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349833; PubChem:CID56676516
|
Local ready
Direct docking supported
|
|
E3L053563
BDB053563
|
BDBM50349834
CC[C@@H](Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2OC)cc1)C(=O)O
|
C28H27NO5 457.526000 |
CYBICBBHMXTCRI-FQEVSTJZSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349834; PubChem:CID56666266
|
Local ready
Direct docking supported
|
|
E3L053564
BDB053564
|
BDBM50349835
CCCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(CC(CC)C(=O)O)cc1
|
C31H33NO5 499.607000 |
LZBUJINCDZYEQT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349835; PubChem:CID56659332
|
Local ready
Direct docking supported
|
|
E3L053565
BDB053565
|
BDBM50349836
CCC(Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1)C(=O)O
|
C27H25NO4 427.500000 |
OBNPHXKERYVVBP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349836; PubChem:CID56666265
|
Local ready
Direct docking supported
|
|
E3L053566
BDB053566
|
BDBM50349837
O=C(O)CCCOc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
|
C26H23NO5 429.472000 |
WLHBDCBOQFZHFQ-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50349837; PubChem:CID56669680
|
Local ready
Direct docking supported
|
|
E3L053567
BDB053567
|
BDBM50349838
CCC(Cc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2O)cc1)C(=O)O
|
C27H25NO5 443.499000 |
ALEJRJSBSGWGCD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349838; PubChem:CID56676515
|
Local ready
Direct docking supported
|
|
E3L053568
BDB053568
|
BDBM50349839
O=C(O)COc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
|
C24H19NO5 401.418000 |
HGOOOJAHOUQCDO-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349839; PubChem:CID56676514
|
Local ready
Direct docking supported
|
|
E3L053569
BDB053569
|
BDBM50349840
O=C(O)CCc1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
|
C25H21NO4 399.446000 |
FDSRUPLKDQKAAX-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349840; PubChem:CID56679837
|
Local ready
Direct docking supported
|
|
E3L053570
BDB053570
|
BDBM50349841
CCCOc1cc(N2C(=O)c3ccccc3C2=O)ccc1CCc1ccc(C[C@@H](CC)C(=O)O)cc1
|
C30H31NO5 485.580000 |
ZPSPDBLGNWMFEX-JOCHJYFZSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349841; PubChem:CID56679838
|
Local ready
Direct docking supported
|
|
E3L053571
BDB053571
|
BDBM50349842
O=C(O)c1ccc(CCc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1
|
C23H17NO4 371.392000 |
RIIFUEBZKPXUJL-UHFFFAOYSA-N | Q07869 | Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50349842; PubChem:CID56669679
|
Local ready
Direct docking supported
|
|
E3L053572
BDB053572
|
BDBM50349877
CN1CCN(c2ccc(-c3cc4c(c(N)nn4C)c(=O)[nH]3)cc2)CC1
|
C18H22N6O 338.415000 |
VLEQHZKBZRDDGS-UHFFFAOYSA-N | O14965 | Aurora kinase A |
BindingDB, PubChem
BindingDB:BDBM50349877; PubChem:CID136026041
|
Local ready
Direct docking supported
|
|
E3L053573
BDB053573
|
Irdabisant
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)[nH]n2)cc1
|
C18H23N3O2 313.401000 |
XUKROCVZGZNGSI-CQSZACIVSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350021; PubChem:CID25070031
|
Local ready
Direct docking supported
|
|
E3L053574
BDB053574
|
BDBM50350093
O=C(Nc1ccc(Oc2cc3ccccc3cc2Br)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
|
C23H13BrCl3NO3 537.624000 |
BZXXEWBDJLNOJL-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350093; PubChem:CID56665040
|
Local ready
Direct docking supported
|
|
E3L053575
BDB053575
|
BDBM50350094
Cc1ccc(C(C)C)c(Br)c1Oc1ccc(Cl)cc1NC(=O)c1cc(Cl)cc(Br)c1O
|
C23H19Br2Cl2NO3 588.123000 |
GJPSQVOGDYUCQD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350094; PubChem:CID56658116
|
Local ready
Direct docking supported
|
|
E3L053576
BDB053576
|
BDBM50350095
O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1O
|
C23H14Cl3NO3 458.728000 |
UOMPUZXCBIRZNV-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350095; PubChem:CID53387188
|
Local ready
Direct docking supported
|
|
E3L053577
BDB053577
|
3,5-Dichloro-N-(3-chlorophenyl)-2-hydroxybenzamide
O=C(Nc1cccc(Cl)c1)c1cc(Cl)cc(Cl)c1O
|
C13H8Cl3NO2 316.571000 |
JXHXHDUSHCEDGY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350106; PubChem:CID3014425
|
Local ready
Direct docking supported
|
|
E3L053578
BDB053578
|
Adenosine diphosphate (hydroxymethyl)pyrrolidinediol
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]2NC[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
|
C15H24N6O12P2 542.335000 |
NDQDTBCXPOIQGT-UHNJQBFTSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350107; PubChem:CID6918639
|
Local ready
Direct docking supported
|
|
E3L053579
BDB053579
|
3,5-dichloro-N-(2-chlorophenyl)-2-hydroxybenzamide
O=C(Nc1ccccc1Cl)c1cc(Cl)cc(Cl)c1O
|
C13H8Cl3NO2 316.571000 |
AYGAFOJXFHYZAC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350108; PubChem:CID53391638
|
Local ready
Direct docking supported
|
|
E3L053580
BDB053580
|
BDBM50350109
O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1
|
C24H16ClNO4 417.848000 |
ZCBPIBHPWHIERP-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50350109; PubChem:CID56658117
|
Local ready
Direct docking supported
|