| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L008461
BDB008461
|
BDBM207608
O=C1NN=C2CN(C3CCCCC3)Cc3[nH]c4cccc1c4c32
|
C18H20N4O 308.385000 |
DJTRKARYTFROHX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207608; PubChem:CID136242921
|
Local ready
Direct docking supported
|
|
E3L008462
BDB008462
|
BDBM207609
CC(C)(C)CCN1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C18H22N4O 310.401000 |
CSEBVLNREJJWAX-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207609; PubChem:CID136242922
|
Local ready
Direct docking supported
|
|
E3L008463
BDB008463
|
BDBM207610
CN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C13H11FN4O 258.256000 |
WCIQJLFUQLNEJQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207610; PubChem:CID136242923
|
Local ready
Direct docking supported
|
|
E3L008464
BDB008464
|
BDBM207611
CCCN1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C15H16N4O 268.320000 |
NEYMAYFFQNJMGK-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207611; PubChem:CID136242924
|
Local ready
Direct docking supported
|
|
E3L008465
BDB008465
|
BDBM207612
CCCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C15H15FN4O 286.310000 |
WGRHHHBWOPWMLC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207612; PubChem:CID136242925
|
Local ready
Direct docking supported
|
|
E3L008466
BDB008466
|
BDBM207613
CCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C14H13FN4O 272.283000 |
CYRMVOAXRGCWIR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207613; PubChem:CID136242926
|
Local ready
Direct docking supported
|
|
E3L008467
BDB008467
|
BDBM207614
CCCCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C16H17FN4O 300.337000 |
GGCFPMVIGGJEDE-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207614; PubChem:CID136242927
|
Local ready
Direct docking supported
|
|
E3L008468
BDB008468
|
BDBM207615
CN(C)CCN1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C16H19N5O 297.362000 |
DAHUIBDZXNSUMD-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207615; PubChem:CID136242928
|
Local ready
Direct docking supported
|
|
E3L008469
BDB008469
|
BDBM207616
CN(C)CCN1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C16H18FN5O 315.352000 |
RGSFQOXZZIAHAR-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207616; PubChem:CID136242929
|
Local ready
Direct docking supported
|
|
E3L008470
BDB008470
|
BDBM207617
CC(C)(N)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C16H17N5O2 311.345000 |
MWIUPFYRAAIUMB-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207617; PubChem:CID136242930
|
Local ready
Direct docking supported
|
|
E3L008471
BDB008471
|
BDBM207618
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C26H27N5O4 473.533000 |
QXRPWODAKFREFD-SFHVURJKSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207618; PubChem:CID136242931
|
Local ready
Direct docking supported
|
|
E3L008472
BDB008472
|
BDBM207619
N[C@@H](Cc1ccccc1)C(=O)N1CC2=NNC(=O)c3cccc4[nH]c(c2c34)C1
|
C21H19N5O2 373.416000 |
UFQXERGSNIOIJS-AWEZNQCLSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207619; PubChem:CID136242932
|
Local ready
Direct docking supported
|
|
E3L008473
BDB008473
|
BDBM207620
CC(C)(N)C(=O)N1CC2=NNC(=O)c3cc(F)cc4[nH]c(c2c34)C1
|
C16H16FN5O2 329.335000 |
HECWKJIYLZFNLH-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207620; PubChem:CID136242933
|
Local ready
Direct docking supported
|
|
E3L008474
BDB008474
|
BDBM207621
CC1(C)CC2=NN(CCO)C(=O)c3cccc4c3c2c(n4CCO)C1
|
C19H23N3O3 341.411000 |
OZDPEWPAHUWNKA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207621; PubChem:CID71626803
|
Local ready
Direct docking supported
|
|
E3L008475
BDB008475
|
BDBM207622
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCO)C1
|
C17H19N3O2 297.358000 |
ANTJUZCADLKJBA-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207622; PubChem:CID71626804
|
Local ready
Direct docking supported
|
|
E3L008476
BDB008476
|
BDBM207623
C[C@]12CCCN1CC1=NNC(=O)c3cccc4[nH]c2c1c34
|
C16H16N4O 280.331000 |
YDYWCKXGGCVENO-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207623; PubChem:CID136242934
|
Local ready
Direct docking supported
|
|
E3L008477
BDB008477
|
Pamiparib
C[C@]12CCCN1CC1=NNC(=O)c3cc(F)cc4[nH]c2c1c34
|
C16H15FN4O 298.321000 |
DENYZIUJOTUUNY-MRXNPFEDSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM207624; PubChem:CID135565554
|
Local ready
Direct docking supported
|
|
E3L008478
BDB008478
|
BDBM207976
CN1C(=O)C(Cc2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
|
C27H21Cl3N2O2 511.836000 |
HHGSWONIEYVVCX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207976; PubChem:CID123133398
|
Local ready
Direct docking supported
|
|
E3L008479
BDB008479
|
BDBM207977
CN1C(=O)C(c2c[nH]c3cc(Cl)ccc23)=C(Cc2ccc(Cl)cc2)C1(O)Cc1ccc(Cl)cc1
|
C27H21Cl3N2O2 511.836000 |
MXTQDGUQCUQDJB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207977; PubChem:CID123133399
|
Local ready
Direct docking supported
|
|
E3L008480
BDB008480
|
BDBM207978
CN1C(=O)C(c2ccc(Cl)cc2)=C(c2c[nH]c3cc(Cl)ccc23)C1(O)Cc1ccc(Cl)cc1
|
C26H19Cl3N2O2 497.809000 |
ZGJFHSRMBARHSQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM207978; PubChem:CID123133400
|
Local ready
Direct docking supported
|