| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L047901
BDB047901
|
2-(4-bromophenyl)-8-methoxy-3H-quinazolin-4-one
COc1cccc2c(=O)[nH]c(-c3ccc(Br)cc3)nc12
|
C15H11BrN2O2 331.169000 |
IRNPOAKXQQBTOH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188561; PubChem:CID136491263
|
Local ready
Direct docking supported
|
|
E3L047902
BDB047902
|
BDBM50188581
O=C(NCc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1)OCc1ccccc1
|
C23H19N3O3 385.423000 |
SAIBPCDKEKGITF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188581; PubChem:CID135566971
|
Local ready
Direct docking supported
|
|
E3L047903
BDB047903
|
2-(4-Aminophenyl)-3,4-Dihydroquinazolin-4-One
Nc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1
|
C14H11N3O 237.262000 |
PHQBXCTZDRMXMX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188593; PubChem:CID135416131
|
Local ready
Direct docking supported
|
|
E3L047904
BDB047904
|
Xav-939
Oc1nc(-c2ccc(C(F)(F)F)cc2)nc2c1CSCC2
|
C14H11F3N2OS 312.316000 |
KLGQSVMIPOVQAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188594; PubChem:CID135418940
|
Local ready
Direct docking supported
|
|
E3L047905
BDB047905
|
2-(4-chlorophenyl)-8-hydroxy-3H-quinazolin-4-one
O=c1[nH]c(-c2ccc(Cl)cc2)nc2c(O)cccc12
|
C14H9ClN2O2 272.691000 |
QWKZXCNQEFMJAM-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188595; PubChem:CID136264443
|
Local ready
Direct docking supported
|
|
E3L047906
BDB047906
|
8-Hydroxy-2-phenyl-3H-quinazolin-4-one
Oc1nc(-c2ccccc2)nc2c(O)cccc12
|
C14H10N2O2 238.246000 |
JRDFYUFZPYBDNH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188596; PubChem:CID135528341
|
Local ready
Direct docking supported
|
|
E3L047907
BDB047907
|
2-(4-fluorophenyl)-1H-quinazolin-4-one
Oc1nc(-c2ccc(F)cc2)nc2ccccc12
|
C14H9FN2O 240.237000 |
IXMXCFSRQIHRHB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188597; PubChem:CID135479130
|
Local ready
Direct docking supported
|
|
E3L047908
BDB047908
|
2-(4-Amino-phenyl)-8-methoxy-3H-quinazolin-4-one
COc1cccc2c(O)nc(-c3ccc(N)cc3)nc12
|
C15H13N3O2 267.288000 |
OEJHWPFKCMOXFG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188598; PubChem:CID135456692
|
Local ready
Direct docking supported
|
|
E3L047909
BDB047909
|
2-Phenyl-4(3H)-Quinazolinone
Oc1nc(-c2ccccc2)nc2ccccc12
|
C14H10N2O 222.247000 |
VDULOAUXSMYUMG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50188599; PubChem:CID135400456
|
Local ready
Direct docking supported
|
|
E3L047910
BDB047910
|
BDBM50189559
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(S(C)(=O)=O)cc3)oc2C)ccc1F
|
C23H23FN2O8S 506.508000 |
VTQJOGORTCKCOY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189559; PubChem:CID127043845
|
Local ready
Direct docking supported
|
|
E3L047911
BDB047911
|
BDBM50189560
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)ccc1F
|
C26H29FN2O6 484.524000 |
HKEVLHGDVKEOOP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189560; PubChem:CID127043844
|
Local ready
Direct docking supported
|
|
E3L047912
BDB047912
|
BDBM50189561
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)oc2C)ccc1F
|
C23H20F4N2O7 512.412000 |
XNQSRMZMKDJXQI-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189561; PubChem:CID127043676
|
Local ready
Direct docking supported
|
|
E3L047913
BDB047913
|
BDBM50189562
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)ccc1F
|
C23H20F4N2O6 496.413000 |
SCUUQJZQQAXYLF-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189562; PubChem:CID127043675
|
Local ready
Direct docking supported
|
|
E3L047914
BDB047914
|
BDBM50189563
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccccc3)oc2C)ccc1F
|
C22H21FN2O6 428.416000 |
SMWMXAAVHPEELJ-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189563; PubChem:CID127044161
|
Local ready
Direct docking supported
|
|
E3L047915
BDB047915
|
BDBM50189564
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(F)cc3)oc2C)ccc1F
|
C22H20F2N2O6 446.406000 |
SXJBAMWBIIITKL-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189564; PubChem:CID127044160
|
Local ready
Direct docking supported
|
|
E3L047916
BDB047916
|
BDBM50189565
COC(=O)N(CC(=O)O)Cc1cc(OCc2nc(-c3ccc(C)cc3)oc2C)ccc1F
|
C23H23FN2O6 442.443000 |
VMWSFPAZQCVKJP-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189565; PubChem:CID127044284
|
Local ready
Direct docking supported
|
|
E3L047917
BDB047917
|
BDBM50189566
COC(=O)N(CC(=O)O)[C@@H](C)c1cccc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1
|
C23H23ClN2O6 458.898000 |
RXAHPSAJLZTHFP-AWEZNQCLSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor gamma, Peroxisome proliferator-activated receptor alpha |
BindingDB, PubChem
BindingDB:BDBM50189566; PubChem:CID127044159
|
Local ready
Direct docking supported
|
|
E3L047918
BDB047918
|
BDBM50189567
COC(=O)N(CC(=O)O)Cc1ccc(F)c(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1
|
C22H20ClFN2O6 462.861000 |
SQNZXGQBXPCSHH-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189567; PubChem:CID127044158
|
Local ready
Direct docking supported
|
|
E3L047919
BDB047919
|
BDBM50189575
COC(=O)N(CC(=O)O)Cc1cc(F)cc(OCc2nc(-c3ccc(Cl)cc3)oc2C)c1
|
C22H20ClFN2O6 462.861000 |
WRIGKAXYBAIJRE-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189575; PubChem:CID23649183
|
Local ready
Direct docking supported
|
|
E3L047920
BDB047920
|
BDBM50189641
COc1ccc(OC(=O)N(CC(=O)O)Cc2cc(OCc3nc(-c4ccc(Cl)cc4)oc3C)ccc2F)cc1
|
C28H24ClFN2O7 554.958000 |
FQXZXTFBYWVCIY-UHFFFAOYSA-N | P37231, Q07869 | Peroxisome proliferator-activated receptor alpha, Peroxisome proliferator-activated receptor gamma |
BindingDB, PubChem
BindingDB:BDBM50189641; PubChem:CID127043498
|
Local ready
Direct docking supported
|