| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L005221
BDB005221
|
BDBM124956
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccccn2)CC1
|
C21H24N4O2 364.449000 |
ONCJPEMKOFZNPQ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124956; PubChem:CID49872638
|
Local ready
Direct docking supported
|
|
E3L005222
BDB005222
|
BDBM124957
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCCC2)CC1
|
C20H27N3O2 341.455000 |
HOIWEAAFNXNYPY-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124957; PubChem:CID67200134
|
Local ready
Direct docking supported
|
|
E3L005223
BDB005223
|
BDBM124958
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1
|
C20H23N3O3 353.422000 |
RGTWWHHUVOLGDF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124958; PubChem:CID49873231
|
Local ready
Direct docking supported
|
|
E3L005224
BDB005224
|
BDBM124959
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(C2CCC2)CC1
|
C19H25N3O2 327.428000 |
USRQMGAPHKQEBJ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124959; PubChem:CID67194443
|
Local ready
Direct docking supported
|
|
E3L005225
BDB005225
|
BDBM124960
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccc[nH]2)CC1
|
C20H24N4O2 352.438000 |
RLNVMGITCMKRAG-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124960; PubChem:CID67193999
|
Local ready
Direct docking supported
|
|
E3L005226
BDB005226
|
BDBM124961
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2cccs2)CC1
|
C20H23N3O2S 369.490000 |
UVDRIPUOESLUDZ-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124961; PubChem:CID49873318
|
Local ready
Direct docking supported
|
|
E3L005227
BDB005227
|
BDBM124962
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(CC2CCCCC2)CC1
|
C22H31N3O2 369.509000 |
SYMNHJRZNBFYRC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124962; PubChem:CID49873319
|
Local ready
Direct docking supported
|
|
E3L005228
BDB005228
|
BDBM124963
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(CC2CC=CCC2)CC1
|
C22H29N3O2 367.493000 |
TVWRSURMNYXPIC-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124963; PubChem:CID49873320
|
Local ready
Direct docking supported
|
|
E3L005229
BDB005229
|
BDBM124964
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ncc[nH]2)CC1
|
C19H23N5O2 353.426000 |
SGKCLBSTABQBAF-UHFFFAOYSA-N | P09874 | Poly [ADP-ribose] polymerase 1 |
BindingDB, PubChem
BindingDB:BDBM124964; PubChem:CID49872921
|
Local ready
Direct docking supported
|
|
E3L005230
BDB005230
|
BDBM129722
COc1ccc(F)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C29H26Cl2FN3O2 538.450000 |
ORAZTVIFLIRSQY-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129722; PubChem:CID86766851
|
Local ready
Direct docking supported
|
|
E3L005231
BDB005231
|
BDBM129723
COc1cccc(F)c1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C29H26Cl2FN3O2 538.450000 |
GEUKPOZMDDKKJE-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM129723; PubChem:CID86766852
|
Local ready
Direct docking supported
|
|
E3L005232
BDB005232
|
BDBM129724
Cc1cc(Cl)ccc1C1c2c(nc(-c3ccccc3OC(F)(F)F)n2C(C)C)C(=O)N1c1cc(Cl)ccc1C
|
C29H24Cl2F3N3O2 574.430000 |
GPCXWRUJXSUBPF-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129724; PubChem:CID86766853
|
Local ready
Direct docking supported
|
|
E3L005233
BDB005233
|
BDBM129725
COc1ccc(C#N)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C30H26Cl2N4O2 545.470000 |
SZRNMXGSJANVSJ-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129725; PubChem:CID86766854
|
Local ready
Direct docking supported
|
|
E3L005234
BDB005234
|
BDBM129726
COc1ccccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C29H27Cl2N3O2 520.460000 |
LORLESVGPXXLDO-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM129726; PubChem:CID71678260
|
Local ready
Direct docking supported
|
|
E3L005235
BDB005235
|
BDBM129727
COc1ccncc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C28H26Cl2N4O2 521.448000 |
DDVYETORLOKDSF-UHFFFAOYSA-N | O15151 | Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM129727; PubChem:CID71678261
|
Local ready
Direct docking supported
|
|
E3L005236
BDB005236
|
P53-MDM2 inhibitor AV-15a
COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1
|
C28H27Cl2N5O3 552.462000 |
XBJHBEQDHSREQB-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM129728; PubChem:CID78147351
|
Local ready
Direct docking supported
|
|
E3L005237
BDB005237
|
BDBM129729
COc1ncccc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C28H26Cl2N4O2 521.448000 |
DFVOXFHBOCCZTI-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129729; PubChem:CID86766855
|
Local ready
Direct docking supported
|
|
E3L005238
BDB005238
|
BDBM129730
COc1ccc(C(=O)N(C)C)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C32H32Cl2N4O3 591.539000 |
IFRGIPSPDFJEEX-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129730; PubChem:CID86766856
|
Local ready
Direct docking supported
|
|
E3L005239
BDB005239
|
BDBM129731
CNC(=O)c1ccc(OC)c(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c1
|
C31H30Cl2N4O3 577.512000 |
JNXWVLKSISUSKQ-UHFFFAOYSA-N | O15151, Q00987 | Protein Mdm4, E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM129731; PubChem:CID86766857
|
Local ready
Direct docking supported
|
|
E3L005240
BDB005240
|
BDBM129732
COc1ccc(C(=O)NCCO)cc1-c1nc2c(n1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O
|
C32H32Cl2N4O4 607.538000 |
AMMRSBMBAHSSAG-UHFFFAOYSA-N | O15151, Q00987 | E3 ubiquitin-protein ligase Mdm2, Protein Mdm4 |
BindingDB, PubChem
BindingDB:BDBM129732; PubChem:CID86766858
|
Local ready
Direct docking supported
|