| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047661
BDB047661
|
BDBM50179068
O=C1NCc2c1c1c(c3[nH]c4ccc(Br)cc4c23)CCC1
|
C17H13BrN2O 341.208000 |
MTXNXKQCBDSKIE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179068; PubChem:CID44408236
|
Local ready
Direct docking supported
|
|
E3L047662
BDB047662
|
BDBM50179069
O=C1NCc2c1c1c(c3[nH]c4ccc(C(=O)N5CCOCC5)cc4c23)CCC1
|
C22H21N3O3 375.428000 |
GMMMUDGIRVMPLW-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179069; PubChem:CID44408194
|
Local ready
Direct docking supported
|
|
E3L047663
BDB047663
|
BDBM50179070
NCc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C18H17N3O 291.354000 |
QWFZXGNXEMWPGH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179070; PubChem:CID11680856
|
Local ready
Direct docking supported
|
|
E3L047664
BDB047664
|
BDBM50179071
CC(C)(C)OC(=O)NCCCCC(NC(=O)OC(C)(C)C)C(=O)NCc1ccc2[nH]c3c4c(c5c(c3c2c1)CNC5=O)CCC4
|
C34H45N5O6 619.763000 |
SRANUYAZEUWXMY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB
BindingDB:BDBM50179071
|
Local ready
Direct docking supported
|
|
E3L047665
BDB047665
|
BDBM50179072
O=CN1Cc2c(c3c(c4[nH]c5ccccc5c24)CCC3)C1=O
|
C18H14N2O2 290.322000 |
GMUQCHDWJUIYJD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50179072; PubChem:CID44408131
|
Local ready
Direct docking supported
|
|
E3L047666
BDB047666
|
BDBM50179225
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(-c3ccccc3)noc12
|
C29H28N2O5 484.552000 |
GRIXWELRVVWUAG-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179225; PubChem:CID11620018
|
Local ready
Direct docking supported
|
|
E3L047667
BDB047667
|
BDBM50179226
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C#N)c[nH]c12
|
C25H25N3O4 431.492000 |
UQTWKTKHAGSRJD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179226; PubChem:CID11258987
|
Local ready
Direct docking supported
|
|
E3L047668
BDB047668
|
BDBM50179227
CCCc1c(OCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C23H21F3N2O5 462.424000 |
CFOAONDBPOFVJF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179227; PubChem:CID11503588
|
Local ready
Direct docking supported
|
|
E3L047669
BDB047669
|
BDBM50179228
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc[nH]c12
|
C24H26N2O4 406.482000 |
CGCPCNSRHIHPCV-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179228; PubChem:CID44405121
|
Local ready
Direct docking supported
|
|
E3L047670
BDB047670
|
BDBM50179229
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(-c3ccccc3)noc12
|
C29H28N2O5 484.552000 |
DMGBQZXHAZWKHM-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179229; PubChem:CID11677450
|
Local ready
Direct docking supported
|
|
E3L047671
BDB047671
|
BDBM50179230
CCCc1c(OCCCOc2ccc3c(ccn3C(CC)C(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C26H27F3N2O5 504.505000 |
CDJPPWZBMMKNCB-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179230; PubChem:CID11295072
|
Local ready
Direct docking supported
|
|
E3L047672
BDB047672
|
BDBM50179231
CCCc1c(OCCCOc2ccc3c(ccn3Cc3nnn[nH]3)c2)ccc2c(C(F)(F)F)noc12
|
C24H23F3N6O3 500.481000 |
GVEKQMWTSBRZTD-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179231; PubChem:CID11225797
|
Local ready
Direct docking supported
|
|
E3L047673
BDB047673
|
BDBM50179232
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2cc(-c3ccccc3)oc12
|
C30H29NO5 483.564000 |
VOVWQZRQUGCZRR-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179232; PubChem:CID11294660
|
Local ready
Direct docking supported
|
|
E3L047674
BDB047674
|
BDBM50179233
CCCc1c(OCCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O5 490.478000 |
WXKOPFMVUMNDBC-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179233; PubChem:CID11214000
|
Local ready
Direct docking supported
|
|
E3L047675
BDB047675
|
BDBM50179234
CCCc1c(OCCCOc2ccc3ccn(CC(=O)O)c3c2)ccc2c(C(F)(F)F)noc12
|
C24H23F3N2O5 476.451000 |
KIWYETLFYLUZPT-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179234; PubChem:CID11612623
|
Local ready
Direct docking supported
|
|
E3L047676
BDB047676
|
BDBM50179235
CCCc1c(OCCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O5 490.478000 |
CTQAHDQWGGICBF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179235; PubChem:CID11712873
|
Local ready
Direct docking supported
|
|
E3L047677
BDB047677
|
BDBM50179236
CCCc1c(OCCCOc2ccc3c(ccn3CC(=O)O)c2)ccc2c(C(F)(F)F)noc12
|
C24H23F3N2O5 476.451000 |
TWVYNPULGKGJOS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179236; PubChem:CID9547900
|
Local ready
Direct docking supported
|
|
E3L047678
BDB047678
|
BDBM50179237
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C24H23F3N2O5 476.451000 |
GVSXYCPBNPXKCS-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50179237; PubChem:CID11329011
|
Local ready
Direct docking supported
|
|
E3L047679
BDB047679
|
BDBM50179238
CCCc1c(OCC(C)COc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C25H25F3N2O5 490.478000 |
NXPYXUKYEYUULC-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179238; PubChem:CID11511500
|
Local ready
Direct docking supported
|
|
E3L047680
BDB047680
|
BDBM50179239
CCCc1c(OCCC(C)CCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12
|
C27H29F3N2O5 518.532000 |
OZQNBEMTLPTJIG-UHFFFAOYSA-N | P37231 | Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50179239; PubChem:CID11577207
|
Local ready
Direct docking supported
|