| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001381
BDB001381
|
Isoindolinone scaffold, 38
CN(CCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(C=O)cc1
|
C31H28N2O3 476.576000 |
YQKMCTUAVWARPA-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31249; PubChem:CID16090397
|
Local ready
Direct docking supported
|
|
E3L001382
BDB001382
|
Isoindolinone scaffold, 39
Cc1ccc([N+](=O)[O-])c(COC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)c1
|
C29H24N2O4 464.521000 |
ALSIMOQTEVUCJZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31250; PubChem:CID16090446
|
Local ready
Direct docking supported
|
|
E3L001383
BDB001383
|
Isoindolinone scaffold, 40
COc1cc(COC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc(OC)c1O
|
C30H27NO5 481.548000 |
MGACPMHHENLBAT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31251; PubChem:CID16090398
|
Local ready
Direct docking supported
|
|
E3L001384
BDB001384
|
BDBM31252
O=C1c2ccccc2C(OCCS(=O)(=O)O)(c2ccccc2)N1Cc1ccccc1
|
C23H21NO5S 423.490000 |
CBNHBFFDFKFSFQ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31252; PubChem:CID16090400
|
Local ready
Direct docking supported
|
|
E3L001385
BDB001385
|
Isoindolinone scaffold, 43
COc1ccc([C@@H](O)COC2(c3ccccc3)c3ccccc3C(=O)N2CCCO)cc1
|
C26H27NO5 433.504000 |
ZNAMHLZEYQNLAS-QSAPEBAKSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31253; PubChem:CID44176165
|
Local ready
Direct docking supported
|
|
E3L001386
BDB001386
|
Isoindolinone scaffold, 44
COCCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1
|
C24H23NO3 373.452000 |
DPSNOOUMCDGRBU-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31254; PubChem:CID16090401
|
Local ready
Direct docking supported
|
|
E3L001387
BDB001387
|
Isoindolinone scaffold, 45
COC(=O)COC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1
|
C24H21NO4 387.435000 |
GSVNLBVXINDLKO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31255; PubChem:CID16090448
|
Local ready
Direct docking supported
|
|
E3L001388
BDB001388
|
Isoindolinone scaffold, 47
COc1ccc([C@@H](O)COC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccco2)cc1
|
C28H25NO5 455.510000 |
PJTZJMPUXKOJIO-QODXOHEASA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31256; PubChem:CID44176166
|
Local ready
Direct docking supported
|
|
E3L001389
BDB001389
|
Isoindolinone scaffold, 48
CCCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccc(OC)cc1
|
C25H25NO3 387.479000 |
HNSYOOWGSDYYBO-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31257; PubChem:CID16090449
|
Local ready
Direct docking supported
|
|
E3L001390
BDB001390
|
Isoindolinone scaffold, 49
COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCN(CCC#N)c1ccccc1)c1ccccc1
|
C35H33N3O5 575.665000 |
YTCHTPPDEKTOLR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31258; PubChem:CID16090403
|
Local ready
Direct docking supported
|
|
E3L001391
BDB001391
|
Isoindolinone scaffold, 50
COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCn1c([N+](=O)[O-])cnc1C)c1ccccc1
|
C30H28N4O7 556.575000 |
JUXQVALHKFYTBT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31259; PubChem:CID16090450
|
Local ready
Direct docking supported
|
|
E3L001392
BDB001392
|
Isoindolinone scaffold, 51
COC(=O)C(Cc1ccc(O)cc1)N1C(=O)c2ccccc2C1(OCCOC(C)=O)c1ccccc1
|
C28H27NO7 489.524000 |
MSQTYHXFRRJCHE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31260; PubChem:CID16090404
|
Local ready
Direct docking supported
|
|
E3L001393
BDB001393
|
Isoindolinone scaffold, 53
CCCOC1(c2ccccc2)c2ccccc2C(=O)N1CCO
|
C19H21NO3 311.381000 |
PBXRUCOSQQNYJL-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31261; PubChem:CID16090405
|
Local ready
Direct docking supported
|
|
E3L001394
BDB001394
|
Isoindolinone scaffold, 57
CCCOC1(c2ccccc2)c2ccccc2C(=O)N1CCCC(OC)OC
|
C23H29NO4 383.488000 |
NLWIVDJZADRRGV-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31262; PubChem:CID16090453
|
Local ready
Direct docking supported
|
|
E3L001395
BDB001395
|
Isoindolinone scaffold, 58
CCCN1C(=O)c2ccccc2C1(OCCS(C)(=O)=O)c1ccc(C(C)(C)C)cc1
|
C24H31NO4S 429.582000 |
FUCPPAKPLNRFRW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31263; PubChem:CID16090408
|
Local ready
Direct docking supported
|
|
E3L001396
BDB001396
|
Isoindolinone scaffold, 59
CCCN1C(=O)c2ccccc2C1(OCCNC(=O)c1ccccc1O)c1ccc(C(C)(C)C)cc1
|
C30H34N2O4 486.612000 |
MEWMUCHHODRMAC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31264; PubChem:CID16090454
|
Local ready
Direct docking supported
|
|
E3L001397
BDB001397
|
Isoindolinone scaffold, 60
CCCN1C(=O)c2ccccc2C1(OCc1cc2c(cc1[N+](=O)[O-])OCO2)c1ccc(C(C)(C)C)cc1
|
C29H30N2O6 502.567000 |
KCHCPTJMORMXJX-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31265; PubChem:CID16090409
|
Local ready
Direct docking supported
|
|
E3L001398
BDB001398
|
Isoindolinone scaffold, 61
CCCN1C(=O)c2ccccc2C1(OCCc1ccc(O)cc1)c1ccc(C(C)(C)C)cc1
|
C29H33NO3 443.587000 |
YRTWFZJSFHBPMW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31266; PubChem:CID16090455
|
Local ready
Direct docking supported
|
|
E3L001399
BDB001399
|
Isoindolinone scaffold, 62
CCCN1C(=O)c2ccccc2C1(OCCN1CCNC1=O)c1ccc(C(C)(C)C)cc1
|
C26H33N3O3 435.568000 |
AVSYNNLCEUXTGB-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31267; PubChem:CID16090410
|
Local ready
Direct docking supported
|
|
E3L001400
BDB001400
|
Isoindolinone scaffold, 63
CCCN1C(=O)c2ccccc2C1(OCc1[nH]cnc1C)c1ccc(C(C)(C)C)cc1
|
C26H31N3O2 417.553000 |
PNNAWUIWZKMLQK-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31268; PubChem:CID16090456
|
Local ready
Direct docking supported
|