| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L046101
BDB046101
|
BDBM50120725
S=C1NCCc2c(-c3ccccc3)[nH]c3cccc1c23
|
C17H14N2S 278.380000 |
IZYJIEVFZGYABW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120725; PubChem:CID11832752
|
Local ready
Direct docking supported
|
|
E3L046102
BDB046102
|
BDBM50120726
O=C1NCCc2c(-c3cccc(C(F)(F)F)c3)[nH]c3cccc1c23
|
C18H13F3N2O 330.309000 |
GRYSSYXARCOJGD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120726; PubChem:CID10991133
|
Local ready
Direct docking supported
|
|
E3L046103
BDB046103
|
BDBM50120727
O=C1NCCc2c(-c3ccccc3O)[nH]c3cccc1c23
|
C17H14N2O2 278.311000 |
YZBWCLUYSPOXFH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120727; PubChem:CID11054997
|
Local ready
Direct docking supported
|
|
E3L046104
BDB046104
|
BDBM50120728
COc1ccc(-c2[nH]c3cccc4c3c2CCNC4=O)cc1
|
C18H16N2O2 292.338000 |
ALIYTAWXHHSPGS-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120728; PubChem:CID10891646
|
Local ready
Direct docking supported
|
|
E3L046105
BDB046105
|
BDBM50120730
N#Cc1[nH]c2cccc3c2c1CCNC3=O
|
C12H9N3O 211.224000 |
HBZGWQIGAVXYTC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120730; PubChem:CID11138393
|
Local ready
Direct docking supported
|
|
E3L046106
BDB046106
|
BDBM50120731
O=C1NCCc2c(-c3ccc[nH]3)[nH]c3cccc1c23
|
C15H13N3O 251.289000 |
VNSKVRAHQYBTJT-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120731; PubChem:CID10999499
|
Local ready
Direct docking supported
|
|
E3L046107
BDB046107
|
BDBM50120733
CSc1ccccc1-c1[nH]c2cccc3c2c1CCNC3=O
|
C18H16N2OS 308.406000 |
OFJMEKODNHGXEK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50120733; PubChem:CID10881392
|
Local ready
Direct docking supported
|
|
E3L046108
BDB046108
|
BDBM50121409
O=C(Nc1ccc(Oc2ncccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C18H11Cl2N3O4 404.209000 |
VNDRRWBKNSHALL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121409; PubChem:CID5289162
|
Local ready
Direct docking supported
|
|
E3L046109
BDB046109
|
BDBM50121410
O=C(Nc1ccc(OCCc2ccccn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C21H16Cl2N2O4 431.275000 |
KPVYCWCEYPSTHH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121410; PubChem:CID10181142
|
Local ready
Direct docking supported
|
|
E3L046110
BDB046110
|
BDBM50121411
O=C(Nc1ccc(-c2ccsc2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C18H11Cl2NO3S 392.263000 |
KJGSSQSJEYSUAH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121411; PubChem:CID10135090
|
Local ready
Direct docking supported
|
|
E3L046111
BDB046111
|
2-(2,4-Dichlorobenzamido)-5-methylbenzoic acid
Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
|
C15H11Cl2NO3 324.163000 |
BXQIAYMIOWYCGX-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121412; PubChem:CID4287647
|
Local ready
Direct docking supported
|
|
E3L046112
BDB046112
|
BDBM50121413
CCOc1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
|
C22H17Cl2NO4 430.287000 |
LGBAGNSJMLBFGM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121413; PubChem:CID10159755
|
Local ready
Direct docking supported
|
|
E3L046113
BDB046113
|
BDBM50121414
O=C(Nc1ccc(OCCc2ccsc2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C20H15Cl2NO4S 436.316000 |
KHZMMMNYHGINGK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121414; PubChem:CID10274686
|
Local ready
Direct docking supported
|
|
E3L046114
BDB046114
|
BDBM50121415
O=C(Nc1ccc(-c2ccco2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C18H11Cl2NO4 376.195000 |
IVQFOWVLYRHJKW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121415; PubChem:CID10270857
|
Local ready
Direct docking supported
|
|
E3L046115
BDB046115
|
BDBM50121416
O=C(O)c1cccc(-c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)c1
|
C21H13Cl2NO5 430.243000 |
PKHBDCMHNSWKKS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50121416; PubChem:CID10274271
|
Local ready
Direct docking supported
|
|
E3L046116
BDB046116
|
BDBM50121417
CSCCOc1ccc(NC(=O)c2ccc(Cl)cc2Cl)c(C(=O)O)c1
|
C17H15Cl2NO4S 400.283000 |
NUFOUZIOJRXDFK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121417; PubChem:CID10272292
|
Local ready
Direct docking supported
|
|
E3L046117
BDB046117
|
BDBM50121418
O=C(Nc1ccc(-c2cccc3cccnc23)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C23H14Cl2N2O3 437.282000 |
JNKVAVBHDDQNPH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121418; PubChem:CID9824371
|
Local ready
Direct docking supported
|
|
E3L046118
BDB046118
|
BDBM50121419
CCOc1ccc(COc2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(C(=O)O)c2)cc1
|
C23H19Cl2NO5 460.313000 |
NLLLBTAOCGRTOK-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121419; PubChem:CID10139441
|
Local ready
Direct docking supported
|
|
E3L046119
BDB046119
|
BDBM50121420
O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C19H11Cl2N3O6 448.218000 |
LUAJITCMKXDEFM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121420; PubChem:CID10225710
|
Local ready
Direct docking supported
|
|
E3L046120
BDB046120
|
BDBM50121421
O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1C(=O)O)c1ccc(Cl)cc1Cl
|
C19H11Cl2N3O6 448.218000 |
JKJGCVQLCJSSRW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50121421; PubChem:CID10204119
|
Local ready
Direct docking supported
|