| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L001361
BDB001361
|
Isoindolinone scaffold, 15
O=C1c2ccccc2C(N[C@@H](CO)[C@@H](O)c2ccccc2)(c2ccccc2)N1Cc1ccccc1
|
C30H28N2O3 464.565000 |
JAWSNXONTCNKDG-SRBHEWTHSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31229; PubChem:CID44176162
|
Local ready
Direct docking supported
|
|
E3L001362
BDB001362
|
Isoindolinone scaffold, 16
CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(OCOCC[Si](C)(C)C)cc1
|
C34H44N2O4Si 572.822000 |
XUFZRGZDQJZYSZ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31230; PubChem:CID16090385
|
Local ready
Direct docking supported
|
|
E3L001363
BDB001363
|
Isoindolinone scaffold, 17
CCCN1C(=O)c2ccccc2C1(NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1
|
C28H30N2O2 426.560000 |
MEIUKHKAHGJIIJ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31231; PubChem:CID16090436
|
Local ready
Direct docking supported
|
|
E3L001364
BDB001364
|
Isoindolinone scaffold, 18
COc1ccc(C(O)CNC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1
|
C30H28N2O3 464.565000 |
HKMINAQPDPJDOG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31232; PubChem:CID44176163
|
Local ready
Direct docking supported
|
|
E3L001365
BDB001365
|
Isoindolinone scaffold, 19
O=C1c2ccccc2C(OCc2cccc([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1
|
C28H22N2O4 450.494000 |
AQYYZVUSEBYJAC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31233; PubChem:CID16090387
|
Local ready
Direct docking supported
|
|
E3L001366
BDB001366
|
Isoindolinone scaffold, 20
O=C1CCCN1CCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1
|
C27H26N2O3 426.516000 |
CBVUJGURZFOLKP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31234; PubChem:CID16090437
|
Local ready
Direct docking supported
|
|
E3L001367
BDB001367
|
Isoindolinone scaffold, 21
C=CC(=O)OCCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1
|
C26H23NO4 413.473000 |
MZAVRMYKKYOSTP-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31235; PubChem:CID16090388
|
Local ready
Direct docking supported
|
|
E3L001368
BDB001368
|
Isoindolinone scaffold, 22
CCCCc1ncc(COC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)[nH]1
|
C29H29N3O2 451.570000 |
GEHKGKWUUHCQHS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31236; PubChem:CID16090438
|
Local ready
Direct docking supported
|
|
E3L001369
BDB001369
|
Isoindolinone scaffold, 24
O=C1c2ccccc2C(OCc2ccc(O)cc2)(c2ccccc2)N1Cc1ccccc1
|
C28H23NO3 421.496000 |
WMRLUQXKAAFQLC-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31237; PubChem:CID16090439
|
Local ready
Direct docking supported
|
|
E3L001370
BDB001370
|
Isoindolinone scaffold, 25
COc1ccc(CCOC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)cc1OC
|
C31H29NO4 479.576000 |
MBAQRMFEGFSNMG-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31238; PubChem:CID44176164
|
Local ready
Direct docking supported
|
|
E3L001371
BDB001371
|
Isoindolinone scaffold, 26
CC(=O)NCCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1
|
C25H24N2O3 400.478000 |
NPUYFSOLWVDWPW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31239; PubChem:CID16090440
|
Local ready
Direct docking supported
|
|
E3L001372
BDB001372
|
Isoindolinone scaffold, 28
O=C1c2ccccc2C(OCCN2CCNCC2)(c2ccccc2)N1Cc1ccccc1
|
C27H29N3O2 427.548000 |
XKJRGWIKSJTTGT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31240; PubChem:CID16090441
|
Local ready
Direct docking supported
|
|
E3L001373
BDB001373
|
Isoindolinone scaffold, 30
O=C1c2ccccc2C(OCc2cccc(O)c2)(c2ccccc2)N1Cc1ccccc1
|
C28H23NO3 421.496000 |
RYOPJZHGOZAKKS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31241; PubChem:CID16090393
|
Local ready
Direct docking supported
|
|
E3L001374
BDB001374
|
Isoindolinone scaffold, 31
O=C1c2ccccc2C(OCc2ccc(Cl)c([N+](=O)[O-])c2)(c2ccccc2)N1Cc1ccccc1
|
C28H21ClN2O4 484.939000 |
SJJJFHYCBPENCS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31242; PubChem:CID16090442
|
Local ready
Direct docking supported
|
|
E3L001375
BDB001375
|
Isoindolinone scaffold, 32
O=C1c2ccccc2C(OCCOc2ccccc2O)(c2ccccc2)N1Cc1ccccc1
|
C29H25NO4 451.522000 |
ZRHMXIYIKZKCKW-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31243; PubChem:CID16090394
|
Local ready
Direct docking supported
|
|
E3L001376
BDB001376
|
Isoindolinone scaffold, 33
CC(C)(C)c1ccc(COC2(c3ccccc3)c3ccccc3C(=O)N2CCc2cnc[nH]2)cc1
|
C30H31N3O2 465.597000 |
BUZRFRDGCQIKFD-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31244; PubChem:CID16090443
|
Local ready
Direct docking supported
|
|
E3L001377
BDB001377
|
Isoindolinone scaffold, 34
O=Cc1ccc(COC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)o1
|
C27H21NO4 423.468000 |
YOERQPRARRQVCJ-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31245; PubChem:CID16090395
|
Local ready
Direct docking supported
|
|
E3L001378
BDB001378
|
Isoindolinone scaffold, 35
O=C(NCCOC1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1)c1ccc(O)cc1O
|
C30H26N2O5 494.547000 |
MOFQWYMXFRXPKT-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31246; PubChem:CID16090444
|
Local ready
Direct docking supported
|
|
E3L001379
BDB001379
|
Isoindolinone scaffold, 36
O=C1c2ccccc2C(OCCNc2ccccc2)(c2ccccc2)N1Cc1ccccc1
|
C29H26N2O2 434.539000 |
RCTBIDALXDWYTR-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31247; PubChem:CID16090396
|
Local ready
Direct docking supported
|
|
E3L001380
BDB001380
|
Isoindolinone scaffold, 37
Cc1cccc(N(CCC#N)CCOC2(c3ccccc3)c3ccccc3C(=O)N2Cc2ccccc2)c1
|
C33H31N3O2 501.630000 |
BMFNJPLJJZVMPS-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM31248; PubChem:CID16090445
|
Local ready
Direct docking supported
|