| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047881
BDB047881
|
BDBM50188254
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
C22H17ClF3N3O7 527.839000 |
HHKOUWVTKOVZSW-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188254; PubChem:CID44415004
|
Local ready
Direct docking supported
|
|
E3L047882
BDB047882
|
BDBM50188255
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccccc1[N+](=O)[O-]
|
C21H18ClN3O7 459.842000 |
ITUIKSCIIWOHND-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188255; PubChem:CID44414956
|
Local ready
Direct docking supported
|
|
E3L047883
BDB047883
|
BDBM50188256
O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2C(=O)CCCOc2ccc(Cl)cc2Cl)c(Cl)c1
|
C27H20Cl3NO5 544.818000 |
VINJHESJAFNNRA-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188256; PubChem:CID44414901
|
Local ready
Direct docking supported
|
|
E3L047884
BDB047884
|
BDBM50188257
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl
|
C21H17Cl3N2O5 483.735000 |
ZNAQLMKOHTYVPZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188257; PubChem:CID44414967
|
Local ready
Direct docking supported
|
|
E3L047885
BDB047885
|
BDBM50188258
O=C(O)Cc1ccc(-c2noc(C3CC3)c2C(=O)NCCOc2ccc(Cl)cc2Cl)c(Cl)c1
|
C23H19Cl3N2O5 509.773000 |
GSIWZVSUBWAXOJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188258; PubChem:CID44414927
|
Local ready
Direct docking supported
|
|
E3L047886
BDB047886
|
BDBM50188259
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1COCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
|
C22H18ClF3N2O7 514.840000 |
AYOXOSLQDVPREQ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50188259; PubChem:CID44414991
|
Local ready
Direct docking supported
|
|
E3L047887
BDB047887
|
BDBM50188260
CCc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl
|
C22H19Cl3N2O5 497.762000 |
AYBCPAUHDJRCLO-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188260; PubChem:CID44414968
|
Local ready
Direct docking supported
|
|
E3L047888
BDB047888
|
BDBM50188261
Cc1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(C(F)(F)F)cc1
|
C22H18ClF3N2O5 482.842000 |
LGBXSTFVDYSEBB-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188261; PubChem:CID44414955
|
Local ready
Direct docking supported
|
|
E3L047889
BDB047889
|
BDBM50188262
O=C(O)Cc1ccc(-c2noc(-c3ccccc3)c2COCCOc2ccc(Cl)cc2Cl)c(Cl)c1
|
C26H20Cl3NO5 532.807000 |
HLABUWNFXQNRKZ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188262; PubChem:CID44414900
|
Local ready
Direct docking supported
|
|
E3L047890
BDB047890
|
BDBM50188263
CC(C)(C)c1onc(-c2ccc(CC(=O)O)cc2Cl)c1C(=O)NCCOc1ccc(Cl)cc1Cl
|
C24H23Cl3N2O5 525.816000 |
VZGPQBGNXKUSIH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188263; PubChem:CID44414926
|
Local ready
Direct docking supported
|
|
E3L047891
BDB047891
|
BDBM50188264
CN(CCOc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccc(CC(=O)O)cc2Cl)noc1-c1ccccc1
|
C27H21Cl3N2O5 559.833000 |
GVJDOEINHXGYKN-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50188264; PubChem:CID44414891
|
Local ready
Direct docking supported
|
|
E3L047892
BDB047892
|
2-(4-Bromophenyl)-3,4-Dihydroquinazolin-4-One
O=c1[nH]c(-c2ccc(Br)cc2)nc2ccccc12
|
C14H9BrN2O 301.143000 |
NRCCYFAMXZIJSC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188337; PubChem:CID135421564
|
Local ready
Direct docking supported
|
|
E3L047893
BDB047893
|
BDBM50188469
Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c(O)cccc12
|
C15H9F3N2O2 306.243000 |
ZZCRCAHSCCNAPB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188469; PubChem:CID135417291
|
Local ready
Direct docking supported
|
|
E3L047894
BDB047894
|
2-(4-Methoxyphenyl)-8-methoxyquinazoline-4(3H)-one
COc1ccc(-c2nc(O)c3cccc(OC)c3n2)cc1
|
C16H14N2O3 282.299000 |
QUWZBGKVPVWAEZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188470; PubChem:CID135417258
|
Local ready
Direct docking supported
|
|
E3L047895
BDB047895
|
BDBM50188471
Cc1ccc(-c2nc3c(O)cccc3c(=O)[nH]2)cc1
|
C15H12N2O2 252.273000 |
MCCQXQRJNJXHRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188471; PubChem:CID135566973
|
Local ready
Direct docking supported
|
|
E3L047896
BDB047896
|
2-(4-Fluorophenyl)-8-methoxyquinazolin-4(3H)-one
COc1cccc2c(=O)[nH]c(-c3ccc(F)cc3)nc12
|
C15H11FN2O2 270.263000 |
GKHVECTULDXARR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188472; PubChem:CID135443732
|
Local ready
Direct docking supported
|
|
E3L047897
BDB047897
|
2-(4-Amino-phenyl)-8-hydroxy-3H-quinazolin-4-one
Nc1ccc(-c2nc(O)c3cccc(O)c3n2)cc1
|
C14H11N3O2 253.261000 |
FNYTYXJFOSRUTI-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188473; PubChem:CID135471356
|
Local ready
Direct docking supported
|
|
E3L047898
BDB047898
|
8-Methoxy-2-phenyl-4(3H)-quinazolinone
COc1cccc2c(O)nc(-c3ccccc3)nc12
|
C15H12N2O2 252.273000 |
XMLHWESTKAFTNA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188518; PubChem:CID135439437
|
Local ready
Direct docking supported
|
|
E3L047899
BDB047899
|
4(1h)-Quinazolinone,8-hydroxy-2-(4-hydroxyphenyl)-
Oc1ccc(-c2nc(O)c3cccc(O)c3n2)cc1
|
C14H10N2O3 254.245000 |
KZLPIRPQDKFMRG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188540; PubChem:CID135513650
|
Local ready
Direct docking supported
|
|
E3L047900
BDB047900
|
8-Methoxy-2-(4-nitro-phenyl)-3H-quinazolin-4-one
COc1cccc2c(O)nc(-c3ccc([N+](=O)[O-])cc3)nc12
|
C15H11N3O4 297.270000 |
PGAMJHQYVDYIQX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188556; PubChem:CID135417274
|
Local ready
Direct docking supported
|