| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L044061
BDB044061
|
BDBM50020633
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCN3CCOCC3)cc1)C2=O
|
C22H22N2O5 394.427000 |
HKLACZHOKMVNEF-RGEXLXHISA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020633; PubChem:CID90644847
|
Local ready
Direct docking supported
|
|
E3L044062
BDB044062
|
BDBM50020634
CN1CCN(CCOc2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1
|
C23H25N3O4 407.470000 |
PQSLLBRCWUCWDQ-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020634; PubChem:CID90644848
|
Local ready
Direct docking supported
|
|
E3L044063
BDB044063
|
BDBM50020635
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCCN3CCOCC3)cc1)C2=O
|
C23H24N2O5 408.454000 |
CURYXPUPJGUGJZ-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020635; PubChem:CID90644849
|
Local ready
Direct docking supported
|
|
E3L044064
BDB044064
|
BDBM50020637
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(=O)N3CCOCC3)cc1)C2=O
|
C22H20N2O6 408.410000 |
LRJJUUGPQSYULJ-PDGQHHTCSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020637; PubChem:CID90644850
|
Local ready
Direct docking supported
|
|
E3L044065
BDB044065
|
BDBM50020648
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCC3CO3)cc1)C2=O
|
C19H15NO5 337.331000 |
SHMSNUPWFZACTQ-PXNMLYILSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020648; PubChem:CID90644851
|
Local ready
Direct docking supported
|
|
E3L044066
BDB044066
|
BDBM50020649
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCC(O)CN3CCOCC3)cc1)C2=O
|
C23H24N2O6 424.453000 |
LORVZILRIYUQII-NDENLUEZSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020649; PubChem:CID90644852
|
Local ready
Direct docking supported
|
|
E3L044067
BDB044067
|
BDBM50020650
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCN3CCN(c4ccc(F)cc4)CC3)cc1)C2=O
|
C28H26FN3O4 487.531000 |
JJJZFUMXIICAON-BWAHOGKJSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020650; PubChem:CID90644853
|
Local ready
Direct docking supported
|
|
E3L044068
BDB044068
|
BDBM50020657
CN1CCN(CCS(=O)(=O)Nc2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1
|
C23H26N4O5S 470.551000 |
CNPCGLWVCNKFLC-HKWRFOASSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020657; PubChem:CID90644854
|
Local ready
Direct docking supported
|
|
E3L044069
BDB044069
|
BDBM50020658
CN1CCN(CCCS(=O)(=O)Nc2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1
|
C24H28N4O5S 484.578000 |
HZIREOKHAYTQSX-PGMHBOJBSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020658; PubChem:CID90644855
|
Local ready
Direct docking supported
|
|
E3L044070
BDB044070
|
Amitriptyline
CN(C)CCC=C1c2ccccc2CCc2ccccc21
|
C20H23N 277.411000 |
KRMDCWKBEZIMAB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM50020712; PubChem:CID2160
|
Local ready
Direct docking supported
|
|
E3L044071
BDB044071
|
5-(2-methyl-4,5-diphenyl-1H-pyrrol-3-yl)-1H-pyrazole
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccn[nH]1
|
C20H17N3 299.377000 |
GMNXEEJYFFLMRH-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020714; PubChem:CID136607458
|
Local ready
Direct docking supported
|
|
E3L044072
BDB044072
|
BDBM50020715
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nnnn12
|
C21H16N6 352.401000 |
VDMMJXOUQVUPIY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020715; PubChem:CID136607459
|
Local ready
Direct docking supported
|
|
E3L044073
BDB044073
|
BDBM50020716
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2nc3ccccc3n12
|
C27H20N4 400.485000 |
GHJCFDISWJGCBY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020716; PubChem:CID90644878
|
Local ready
Direct docking supported
|
|
E3L044074
BDB044074
|
BDBM50020717
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2[nH]c(=S)[nH]c(=O)c12
|
C24H18N4OS 410.502000 |
RNAZYMHNUQJZSX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020717; PubChem:CID90644879
|
Local ready
Direct docking supported
|
|
E3L044075
BDB044075
|
BDBM50020720
CC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
|
C25H22N2O 366.464000 |
QDHXRBMEFDIFHB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020720; PubChem:CID90644880
|
Local ready
Direct docking supported
|
|
E3L044076
BDB044076
|
BDBM50020721
CCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1C
|
C26H24N2O2 396.490000 |
GGOWRUXTCSMBBF-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020721; PubChem:CID90644881
|
Local ready
Direct docking supported
|
|
E3L044077
BDB044077
|
BDBM50020722
CCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)nc1-c1ccccc1
|
C31H26N2O2 458.561000 |
VUSSFVVQNMDDEU-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020722; PubChem:CID90644882
|
Local ready
Direct docking supported
|
|
E3L044078
BDB044078
|
BDBM50020723
Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(C#N)c(=O)[nH]1
|
C23H17N3O 351.409000 |
XNNGIWMVYSKXIW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020723; PubChem:CID90644883
|
Local ready
Direct docking supported
|
|
E3L044079
BDB044079
|
BDBM50020724
CCOC(=O)c1ccc(-c2c(C)[nH]c(-c3ccccc3)c2-c2ccccc2)[nH]c1=O
|
C25H22N2O3 398.462000 |
QCNZXDXKYLMQEY-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020724; PubChem:CID90644884
|
Local ready
Direct docking supported
|
|
E3L044080
BDB044080
|
BDBM50020725
COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2C(=O)N2CCN(CCO)CC2)c(OC(C)C)c1
|
C32H34Cl2N4O4 609.554000 |
ROSNPAITVFVLCS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM50020725; PubChem:CID90644885
|
Local ready
Direct docking supported
|