| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022281
BDB022281
|
US11161839, Example 9p
CC(Nc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12)c1ncc(C2CC2)cn1
|
C26H22ClN7O3 515.961000 |
XXGFEYHPTYGHEH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522278; PubChem:CID135386508
|
Local ready
Direct docking supported
|
|
E3L022282
BDB022282
|
US11161839, Example 9q
CC(Nc1cc(=O)n(Cc2ccccc2)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12)c1ncccn1
|
C29H22ClN7O3 551.994000 |
RGHRZZDGIKPFLQ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522279; PubChem:CID135385691
|
Local ready
Direct docking supported
|
|
E3L022283
BDB022283
|
BDBM522280
Cn1c(=O)cc(NC(C)(C)c2ncc(C3CC3)cn2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C26H24ClN7O 485.979000 |
NSEPTCJLWMVQFB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522280; PubChem:CID135385343
|
Local ready
Direct docking supported
|
|
E3L022284
BDB022284
|
US11161839, Example 10b
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(N2C[C@@H](C)O[C@@H](C)C2)cn1
|
C28H29ClN8O2 545.047000 |
VNXHYJBCHFHZNA-JWTNVVGKSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522281; PubChem:CID135385346
|
Local ready
Direct docking supported
|
|
E3L022285
BDB022285
|
US11161839, Example 10c
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(-c2cnn(C)c2)cn1
|
C26H22ClN9O 511.977000 |
LHBQSKZFVACRRY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522282; PubChem:CID135385347
|
Local ready
Direct docking supported
|
|
E3L022286
BDB022286
|
US11161839, Example 10d
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(N2CCOC(C(F)(F)F)C2)cn1
|
C27H24ClF3N8O2 584.990000 |
XGXBYETVRJAMPP-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522283; PubChem:CID135386664
|
Local ready
Direct docking supported
|
|
E3L022287
BDB022287
|
US11161839, Example 10e
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(C2CC2)cn1
|
C25H22ClN7O 471.952000 |
FHLDBZWADXDVDT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522284; PubChem:CID142478328
|
Local ready
Direct docking supported
|
|
E3L022288
BDB022288
|
US11161839, Example 10f
Cc1cnc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)nc1
|
C23H20ClN7O 445.914000 |
SDJBWTCQZVWJDR-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522285; PubChem:CID142478222
|
Local ready
Direct docking supported
|
|
E3L022289
BDB022289
|
BDBM522286
C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
|
C22H18ClN7O 431.887000 |
NZWNGZWURJFQPT-CYBMUJFWSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522286; PubChem:CID135385752
|
Local ready
Direct docking supported
|
|
E3L022290
BDB022290
|
US11161839, Example 10h
CC(Nc1nc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
|
C21H17ClN8O 432.875000 |
OYHHLVRNKGOUHB-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522287; PubChem:CID135386918
|
Local ready
Direct docking supported
|
|
E3L022291
BDB022291
|
US11161839, Example 10i
CNC(=O)c1cc(Nc2ccc3c(c2)c(N[C@H](C)C2CC2)cc(=O)n3C)c(C#N)c(Cl)n1
|
C23H23ClN6O2 450.930000 |
IOXRWXJAFSTBDH-GFCCVEGCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522288; PubChem:CID135386155
|
Local ready
Direct docking supported
|
|
E3L022292
BDB022292
|
US11161839, Example 10j
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(Br)cn1
|
C22H17BrClN7O 510.783000 |
YVJJCFFIPRUHLL-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522289; PubChem:CID135385890
|
Local ready
Direct docking supported
|
|
E3L022293
BDB022293
|
US11161839, Example 10k
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncc(N2C[C@H](C)C[C@H](C)C2)cn1
|
C29H31ClN8O 543.075000 |
LPAQUORSLBPMHY-DFNIBXOVSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522290; PubChem:CID135387379
|
Local ready
Direct docking supported
|
|
E3L022294
BDB022294
|
US11161839, Example 10l
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncn(C)n1
|
C21H19ClN8O 434.891000 |
YVURUTRVJUHFJI-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522291; PubChem:CID135385889
|
Local ready
Direct docking supported
|
|
E3L022295
BDB022295
|
US11161839, Example 10m
C[C@@H](Nc1nc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C1CC1
|
C20H19ClN6O 394.866000 |
SPQJHABKPHYNEJ-LLVKDONJSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522292; PubChem:CID135385632
|
Local ready
Direct docking supported
|
|
E3L022296
BDB022296
|
US11161839, Example 10n
C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C1CC1
|
C21H20ClN5O 393.878000 |
BJXMKDPCZGYDAF-GFCCVEGCSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522293; PubChem:CID142478391
|
Local ready
Direct docking supported
|
|
E3L022297
BDB022297
|
US11161839, Example 10o
CC(C)(Nc1cc(=O)n(CC2CCCCC2)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncccn1
|
C29H30ClN7O 528.060000 |
KIVVPJKXNYCBEC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522294; PubChem:CID135385484
|
Local ready
Direct docking supported
|
|
E3L022298
BDB022298
|
US11161839, Example 10p
Cn1c(=O)cc(NC(c2ncccn2)C2CC2)c2cc(Nc3ccnc(Cl)c3C#N)ccc21
|
C24H20ClN7O 457.925000 |
QCUQXTVGKACBKZ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522295; PubChem:CID135386381
|
Local ready
Direct docking supported
|
|
E3L022299
BDB022299
|
US11161839, Example 10q
CCOC(=O)c1cc(Nc2ccc3c(c2)c(NC(C)c2ncccn2)cc(=O)n3C)n2nccc2n1
|
C25H24N8O3 484.520000 |
JQTOPIMNUOIMFC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522296; PubChem:CID135386395
|
Local ready
Direct docking supported
|
|
E3L022300
BDB022300
|
US11161839, Example 10r
COc1cc(Nc2ccnc(Cl)c2C#N)cc2c(NC(C)(C)c3ncccn3)cc(=O)n(C)c12
|
C24H22ClN7O2 475.940000 |
JZOJWYWJVHBLSY-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522297; PubChem:CID142478376
|
Local ready
Direct docking supported
|