| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L029241
BDB029241
|
BDBM582467
C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(F)c(O)c(C(N)=O)c3)c3c(=O)n(CC#Cc4cnn(C)c4)cnc32)c(Cl)cn1
|
C33H32ClFN10O4 687.136000 |
DBMKUZQSKCMYNM-IBGZPJMESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582467
|
Local ready
Direct docking supported
|
|
E3L029242
BDB029242
|
BDBM582468
Cn1cnc2c(c(-c3cc(C(N)=O)c(O)c(F)c3F)cn2CC(=O)Nc2cc(NCCCO)nc(F)c2Cl)c1=O
|
C24H21ClF3N7O5 579.923000 |
GQLBEENRLBHERD-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM582468; PubChem:CID139391076
|
Local ready
Direct docking supported
|
|
E3L029243
BDB029243
|
BDBM582469
CN1CC2(CCN(c3cc(NC(=O)Cn4cc(-c5cc(Cl)c(O)c(C(N)=O)c5)c5c(=O)n(C)cnc54)c(Cl)cn3)C2)C1
|
C28H28Cl2N8O4 611.490000 |
QFHPLSPIRBXYOO-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582469
|
Local ready
Direct docking supported
|
|
E3L029244
BDB029244
|
BDBM582470
CN1CC2(CCN(c3cc(NC(=O)Cn4cc(-c5cc(C(N)=O)c(O)c(F)c5F)c5c(=O)n(C)cnc54)c(Cl)cn3)C2)C1
|
C28H27ClF2N8O4 613.025000 |
VPGJIYUNPDRFRW-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582470
|
Local ready
Direct docking supported
|
|
E3L029245
BDB029245
|
BDBM582471
CN1CC2(CCN(c3cc(NC(=O)Cn4cc(-c5cc(F)c(O)c(C(N)=O)c5)c5c(=O)n(C)cnc54)c(Cl)cn3)C2)C1
|
C28H28ClFN8O4 595.035000 |
ZJFUBGFURVDMQX-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582471
|
Local ready
Direct docking supported
|
|
E3L029246
BDB029246
|
BDBM582472
CN1CCC2(C1)CN(c1cc(NC(=O)Cn3cc(-c4cc(C(N)=O)c(O)c(F)c4F)c4c(=O)n(C)cnc43)c(Cl)cn1)C2
|
C28H27ClF2N8O4 613.025000 |
LVMMEZLLRFCSPR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582472
|
Local ready
Direct docking supported
|
|
E3L029247
BDB029247
|
BDBM582473
CN1CCC2(C1)CN(c1cc(NC(=O)Cn3cc(-c4cc(F)c(O)c(C(N)=O)c4)c4c(=O)n(C)cnc43)c(Cl)cn1)C2
|
C28H28ClFN8O4 595.035000 |
DHXJDOMFMRZFAB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582473
|
Local ready
Direct docking supported
|
|
E3L029248
BDB029248
|
BDBM582474
C[C@H]1CN(C)C[C@H](C)N1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c(F)c3F)c3c(=O)n(C)cnc32)c(Cl)c(F)n1
|
C28H28ClF3N8O4 633.031000 |
GZGSYBIHSWWGTH-STQMWFEESA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB
BindingDB:BDBM582474
|
Local ready
Direct docking supported
|
|
E3L029249
BDB029249
|
BDBM582475
Cn1cnc2c(c(-c3cc(C(N)=O)c(O)c(F)c3F)cn2CC(=O)Nc2cc(N3CCC3)nc(F)c2Cl)c1=O
|
C24H19ClF3N7O4 561.908000 |
FEZHAKSPPQJONN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM582475; PubChem:CID139405398
|
Local ready
Direct docking supported
|
|
E3L029250
BDB029250
|
US11518767, Example 3
CC(C)CC1CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
|
C17H20N6O 324.388000 |
UUWNQXUHQXRBNH-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM582478; PubChem:CID142608609
|
Local ready
Direct docking supported
|
|
E3L029251
BDB029251
|
US11518767, Example 4
CSCC1(C)CN(c2ccc3oc(N)nc3c2)c2c(N)ncnc21
|
C16H18N6OS 342.428000 |
YZESSOQLEODPGP-UHFFFAOYSA-N | Q9BVC4 | Target of rapamycin complex subunit LST8 |
BindingDB, PubChem
BindingDB:BDBM582479; PubChem:CID142608603
|
Local ready
Direct docking supported
|
|
E3L029252
BDB029252
|
BDBM582720
Nc1cc(Cl)cnc1N1CCN(C(=O)CC(=O)O)CC1c1ccc(Cl)cc1
|
C18H18Cl2N4O3 409.273000 |
ADAMHDOPUYAGDE-UHFFFAOYSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM582720; PubChem:CID166034034
|
Local ready
Direct docking supported
|
|
E3L029253
BDB029253
|
BDBM582878
Nc1cc(Cl)cnc1N1CCN(C(=O)C2C[C@@H]2C(=O)O)CC1c1ccc(Cl)cc1
|
C20H20Cl2N4O3 435.311000 |
UJEBKBZZUZSGCC-CKDBGZEDSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM582878; PubChem:CID166638729
|
Local ready
Direct docking supported
|
|
E3L029254
BDB029254
|
BDBM582884
CC(C)C[C@H]1CN(C(=O)CC(=O)O)C[C@@H](c2ccc(Cl)cc2)N1c1ncc(Cl)cc1N
|
C22H26Cl2N4O3 465.381000 |
BCURZNRLBFGNAN-HKUYNNGSSA-N | Q00987 | E3 ubiquitin-protein ligase Mdm2 |
BindingDB, PubChem
BindingDB:BDBM582884; PubChem:CID166034001
|
Local ready
Direct docking supported
|
|
E3L029255
BDB029255
|
US11524962, Example 1
C[C@@](O)(c1ccc2c(c1)CC2)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
|
C20H22N4O4 382.420000 |
SVJLKRXTYXVBPP-HRYJEPKJSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584221; PubChem:CID142574969
|
Local ready
Direct docking supported
|
|
E3L029256
BDB029256
|
US11524962, Example 2
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc3c(c2)CC3)[C@@H](O)[C@H]1O
|
C19H20N4O4 368.393000 |
PIERCIOPKDBMLC-PPLBCVRQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584222; PubChem:CID142574974
|
Local ready
Direct docking supported
|
|
E3L029257
BDB029257
|
US11524962, Example 6
Nc1ncnc2c1c(F)cn2[C@@H]1O[C@H]([C@H](O)c2ccc3c(c2)CC3)[C@@H](O)[C@H]1O
|
C19H19FN4O4 386.383000 |
FJWSDBIMYNCUBC-PPLBCVRQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584223; PubChem:CID142575008
|
Local ready
Direct docking supported
|
|
E3L029258
BDB029258
|
US11524962, Example 9
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@](C)(O)c2ccc3c(c2)CC3)[C@@H](O)[C@H]1O
|
C21H23N3O4 381.432000 |
AVJDKCLSVKCKCR-ARXXEPJESA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584224; PubChem:CID162505648
|
Local ready
Direct docking supported
|
|
E3L029259
BDB029259
|
US11524962, Example 11
Cc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc3c(c2)CC3)[C@@H](O)[C@H]1O
|
C20H21N3O4 367.405000 |
GIVBMSCEMGCGQJ-KWXDATOUSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584225; PubChem:CID142575022
|
Local ready
Direct docking supported
|
|
E3L029260
BDB029260
|
US11524962, Example 14
Nc1ncnc2c1ccn2[C@@H]1O[C@H]([C@H](O)c2ccc3c(c2)OCC3)[C@@H](O)[C@H]1O
|
C19H20N4O5 384.392000 |
ROBDUKXVDWAJJB-PPLBCVRQSA-N | Q9BQA1 | Protein arginine N-methyltransferase 5 |
BindingDB, PubChem
BindingDB:BDBM584226; PubChem:CID142574942
|
Local ready
Direct docking supported
|