| Compound ID | Name | Formula / MW | InChIKey | E3 | Target | Source | Docking structure |
|---|---|---|---|---|---|---|---|
|
E3L022221
BDB022221
|
US11161839, Example 1l
CC(CO)Nc1nc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C18H17ClN6O2 384.827000 |
JLURFPWYKQXHQN-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522218; PubChem:CID135386098
|
Local ready
Direct docking supported
|
|
E3L022222
BDB022222
|
US11161839, Example 3h
CCNC(=O)C(C)(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C22H23ClN6O2 438.919000 |
RPCNUMQWNAIUEJ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522219; PubChem:CID135385476
|
Local ready
Direct docking supported
|
|
E3L022223
BDB022223
|
US11161839, Example 1m
Cc1cc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)no1
|
C22H19ClN6O2 434.887000 |
ZXJYJYGVYWQCBI-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522220; PubChem:CID135386574
|
Local ready
Direct docking supported
|
|
E3L022224
BDB022224
|
US11161839, Example 3i
COC1CCC(NC(=O)[C@@H](C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)CC1
|
C26H29ClN6O3 509.010000 |
HKNFDVOAKKCARF-KLHKWILBSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522221; PubChem:CID135385841
|
Local ready
Direct docking supported
|
|
E3L022225
BDB022225
|
BDBM522222
CC(CO)Nc1nc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C17H15ClN6O2 370.800000 |
HROZGLBDZIOZLH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522222; PubChem:CID135386154
|
Local ready
Direct docking supported
|
|
E3L022226
BDB022226
|
US11161839, Example 3j
C[C@H](CO)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H18ClN5O2 383.839000 |
GHOQATHOBSWRBO-LLVKDONJSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522223; PubChem:CID135385797
|
Local ready
Direct docking supported
|
|
E3L022227
BDB022227
|
US11161839, Example 1o
CNC(=O)[C@@H](C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C20H19ClN6O2 410.865000 |
FADZTVPDTJJNJV-LLVKDONJSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522224; PubChem:CID135386792
|
Local ready
Direct docking supported
|
|
E3L022228
BDB022228
|
US11161839, Example 3k
CCNC(=O)C(C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C21H21ClN6O2 424.892000 |
SMPBOKOUEFIMJT-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522225; PubChem:CID142478379
|
Local ready
Direct docking supported
|
|
E3L022229
BDB022229
|
US11161839, Example 1p
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ncco1
|
C21H17ClN6O2 420.860000 |
KHUZWZBJQFESGS-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522226; PubChem:CID135387020
|
Local ready
Direct docking supported
|
|
E3L022230
BDB022230
|
US11161839, Example 3l
Cc1nnc(C(C)Nc2cc(=O)n(C)c3ccc(Nc4ccnc(Cl)c4C#N)cc23)o1
|
C21H18ClN7O2 435.875000 |
JOZHKUFKFQTMSG-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522227; PubChem:CID135386472
|
Local ready
Direct docking supported
|
|
E3L022231
BDB022231
|
US11161839, Example 1q
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1ccncn1
|
C22H18ClN7O 431.887000 |
YFOLTMSCUPGFEC-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522228; PubChem:CID142478390
|
Local ready
Direct docking supported
|
|
E3L022232
BDB022232
|
US11161839, Example 3m
C[C@@H](Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)C(=O)NCCc1cnn(C)c1
|
C25H25ClN8O2 504.982000 |
ZKSDXISDBRODQC-OAHLLOKOSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522229; PubChem:CID135386182
|
Local ready
Direct docking supported
|
|
E3L022233
BDB022233
|
US11161839, Example 1r
CCNc1cc(=O)n(CCN2C(=O)CCC2=O)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C23H21ClN6O3 464.913000 |
YNWXGVCURVMUKJ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522230; PubChem:CID135386807
|
Local ready
Direct docking supported
|
|
E3L022234
BDB022234
|
US11161839, Example 3n
C[C@@H](CCO)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C20H20ClN5O2 397.866000 |
NZPCROKLTMZZFR-LBPRGKRZSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522231; PubChem:CID135385879
|
Local ready
Direct docking supported
|
|
E3L022235
BDB022235
|
US11161839, Example 1s
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1nccs1
|
C21H17ClN6OS 436.928000 |
ZVRCMCNULQUBTH-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522232; PubChem:CID135385536
|
Local ready
Direct docking supported
|
|
E3L022236
BDB022236
|
US11161839, Example 1o
CNC(=O)[C@@H](C)Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C20H19ClN6O2 410.865000 |
FADZTVPDTJJNJV-LLVKDONJSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522233; PubChem:CID135386792
|
Local ready
Direct docking supported
|
|
E3L022237
BDB022237
|
US11161839, Example 1t
CC(Nc1cc(=O)n(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c1cc[nH]n1
|
C21H18ClN7O 419.876000 |
ZFOZGFBPAGCMMD-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522234; PubChem:CID135385949
|
Local ready
Direct docking supported
|
|
E3L022238
BDB022238
|
BDBM522235
CNC(=O)[C@@H](C)Nc1cc(=O)[nH]c2ccc(Nc3ccnc(Cl)c3C#N)cc12
|
C19H17ClN6O2 396.838000 |
CWFHDWACYRWCLF-SNVBAGLBSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522235; PubChem:CID142478375
|
Local ready
Direct docking supported
|
|
E3L022239
BDB022239
|
US11161839, Example 1u
CNC(=O)c1cc(Nc2ccc3c(c2)c(NC(C)(C)c2ncccn2)cc(=O)n3C)c(C#N)c(Cl)n1
|
C25H23ClN8O2 502.966000 |
JXBIQVFMBICIEJ-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522236; PubChem:CID135385340
|
Local ready
Direct docking supported
|
|
E3L022240
BDB022240
|
US11161839, Example 4
CCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12
|
C19H16ClN5O3 397.822000 |
MRBJUWKSOGCWDO-UHFFFAOYSA-N | P41182 | B-cell lymphoma 6 protein |
BindingDB, PubChem
BindingDB:BDBM522237; PubChem:CID135385334
|
Local ready
Direct docking supported
|